Docetaxel anhydrous

Description

Docetaxel (XT) sold as Taxotere or Docecad, is a well-established anti-mitotic chemotherapy medication that works by interfering with cell division. Docetaxel is approved by the FDA for treatment of locally advanced or metastatic breast cancer, head and neck cancer, gastric cancer, hormone-refractory prostate cancer and non small-cell lung cancer. Docetaxel can be used as a single agent or in combination with other chemotherapeutic drugs as indicated depending on specific cancer type and stage.
Docetaxel is a member of the taxane drug class, which also includes the chemotherapeutic medication paclitaxel. Although docetaxel remains twice as potent as paclitaxel (due to docetaxel’s effect on the centrosome of the mitotic spindle), the two taxanes have been observed to have comparable efficacy. Several recent articles have found "no evidence that regimens containing docetaxel yield greater benefits than those including paclitaxel." While efficacy between the two agents has been observed to be equivalent, paclitaxel may cause fewer side effects. Additionally, it has been noted that docetaxel is prone to cellular drug resistance via a variety of different mechanisms.
The optimal dose scheduling of taxanes remains unconfirmed, but most studies find significant mortality benefit following either a three-week or a one-week administration schedule. While a 2010 article in Current Clinical Pharmacology states, "weekly administration has emerged as the optimal schedule," the official docetaxel package insert recommends administration every three weeks. Important toxicities include neutropenia, febrile neutropenia and neurosensory disturbances. Such toxicities have been well documented in Phase II and Phase III clinical trials and can be anticipated and subsequently managed.
It is on the WHO Model List of Essential Medicines, the most important medications needed in a basic health system. Docetaxel is marketed worldwide under the name Taxotere by Sanofi-Aventis as well as Docefrez by Sun Pharma Global and Zytax by Zydus. Annual sales of Taxotere in 2010 were Euro 2.122 billion ($US 3.1 billion). The patent expired in 2010.

Basic Info

Chemical Name	Docetaxel anhydrous
Synonyms	DL-2-amino-5-phosphonovaleric acid; DOCETAXEL(TAXOTERE); N-Debenzoyl-N-tert-butoxycarbonyl-10-deacetyltaxol; D-2-amino-5-phosphonovaleric acid; Docetaxel; APV; AP-5; N-DEBENZOYL-N-TERT-BUTOXYCARBONYL-10-DEACETYL; DOCETAXEL(TAXOTERE) UK 427857; DL-APV; TAXOTERE, DOCETAXEL; 2-amino-5-phosphopentanoicacid; DOCETAXEL TRIHYDRATE; N-debenzoyl-N-tert-butoxycarbonyl-10-deacetyl taxol; 2-amino-5-phosphonovaleric acid; acide amino-6 carboxy-6 hexylphosphonique; 5-PHOSPHONO-DL-NORVALINE; N-DEBENZOYL-N-BOC-10-DEACETYL TAXOL; 2-amino-5-phosphovaleric acid; Expand
CAS No.	114977-28-5
Molecular Formula	C43H53NO14
Molecular Weight	807.87900
PSA	224.45000
LogP	3.65050

Numbering system

MDL number	MFCD00800737
RTECS number	DA4172750
PubChem number	24845209

Properties

Appearance & Physical State	Off-white Cryst.
Density	1.37 g/cm3
Boiling Point	900.5ºC at 760 mmHg
Melting Point	232ºC
Flash Point	498.4ºC
Refractive Index	1.618
Stability	Stable at normal temperatures and pressures.
Storage Condition	Keep tightly closed. Store at +4ºC.

Safety Info

RTECS	DA4172750
Hazard Class	6.1(b)
Safety Statements	S26; S36/37
HS Code	2932999099
Packing Group	III
RIDADR	UN 1544
Risk Statements	R36/37/38
Hazard Codes	Xi

MSDS

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1.Identification

1.1 GHS Product identifier

Product name	Docetaxel anhydrous

1.2 Other means of identification

Product number	-
Other names	N-DEBENZOYL-N-TERT-BUTOXYCARBONYL-10-DEACETYL

1.3 Recommended use of the chemical and restrictions on use

Identified uses	For industry use only.
Uses advised against	no data available

1.4 Supplier's details

Company	MOLBASE (Shanghai) Biotechnology Co., Ltd.
Address	Floor 4 & 5, Building 12, No. 1001 North Qinzhou Road, Xuhui District, Shanghai, China
Telephone	+86(21)64956998
Fax	+86(21)54365166

1.5 Emergency phone number

Emergency phone number	+86-400-6021-666
Service hours	Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

2.Hazard identification

2.1 Classification of the substance or mixture

Reproductive toxicity, Category 2

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word	Warning
Hazard statement(s)	H361 Suspected of damaging fertility or the unborn child
Precautionary statement(s)
Prevention	P201 Obtain special instructions before use. P202 Do not handle until all safety precautions have been read and understood. P280 Wear protective gloves/protective clothing/eye protection/face protection.
Response	P308+P313 IF exposed or concerned: Get medical advice/ attention.
Storage	P405 Store locked up.
Disposal	P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

3.Composition/information on ingredients

3.1 Substances

Chemical name	Common names and synonyms	CAS number	EC number	Concentration
Docetaxel anhydrous	Docetaxel anhydrous	114977-28-5	none	100%

4.First-aid measures

4.1 Description of necessary first-aid measures

General advice

Consult a physician. Show this safety data sheet to the doctor in attendance.

If inhaled

If breathed in, move person into fresh air. If not breathing, give artificial respiration. Consult a physician.

In case of skin contact

Wash off with soap and plenty of water. Consult a physician.

In case of eye contact

Rinse thoroughly with plenty of water for at least 15 minutes and consult a physician.

If swallowed

Never give anything by mouth to an unconscious person. Rinse mouth with water. Consult a physician.

4.2 Most important symptoms/effects, acute and delayed

no data available

4.3 Indication of immediate medical attention and special treatment needed, if necessary

no data available

5.Fire-fighting measures

5.1 Extinguishing media

Suitable extinguishing media

Use water spray, alcohol-resistant foam, dry chemical or carbon dioxide.

5.2 Specific hazards arising from the chemical

no data available

5.3 Special protective actions for fire-fighters

Wear self-contained breathing apparatus for firefighting if necessary.

6.Accidental release measures

6.1 Personal precautions, protective equipment and emergency procedures

Use personal protective equipment. Avoid dust formation. Avoid breathing vapours, mist or gas. Ensure adequate ventilation. Evacuate personnel to safe areas. Avoid breathing dust. For personal protection see section 8.

6.2 Environmental precautions

Prevent further leakage or spillage if safe to do so. Do not let product enter drains. Discharge into the environment must be avoided.

6.3 Methods and materials for containment and cleaning up

Pick up and arrange disposal. Sweep up and shovel. Keep in suitable, closed containers for disposal.

7.Handling and storage

7.1 Precautions for safe handling

Avoid contact with skin and eyes. Avoid formation of dust and aerosols. Avoid exposure - obtain special instructions before use.Provide appropriate exhaust ventilation at places where dust is formed. For precautions see section 2.2.

7.2 Conditions for safe storage, including any incompatibilities

Store in cool place. Keep container tightly closed in a dry and well-ventilated place.

8.Exposure controls/personal protection

8.1 Control parameters

Occupational Exposure limit values

no data available

Biological limit values

no data available

8.2 Appropriate engineering controls

Handle in accordance with good industrial hygiene and safety practice. Wash hands before breaks and at the end of workday.

8.3 Individual protection measures, such as personal protective equipment (PPE)

Eye/face protection

Safety glasses with side-shields conforming to EN166. Use equipment for eye protection tested and approved under appropriate government standards such as NIOSH (US) or EN 166(EU).

Skin protection

Wear impervious clothing. The type of protective equipment must be selected according to the concentration and amount of the dangerous substance at the specific workplace. Handle with gloves. Gloves must be inspected prior to use. Use proper glove removal technique(without touching glove's outer surface) to avoid skin contact with this product. Dispose of contaminated gloves after use in accordance with applicable laws and good laboratory practices. Wash and dry hands. The selected protective gloves have to satisfy the specifications of EU Directive 89/686/EEC and the standard EN 374 derived from it.

Respiratory protection

Wear dust mask when handling large quantities.

Thermal hazards

no data available

9.Physical and chemical properties

Physical state	Off-white Cryst.
Colour	no data available
Odour	no data available
Melting point/ freezing point	232ºC
Boiling point or initial boiling point and boiling range	900.5ºC at 760 mmHg
Flammability	no data available
Lower and upper explosion limit / flammability limit	no data available
Flash point	498.4ºC
Auto-ignition temperature	no data available
Decomposition temperature	no data available
pH	no data available
Kinematic viscosity	no data available
Solubility	no data available
Partition coefficient n-octanol/water (log value)	no data available
Vapour pressure	no data available
Density and/or relative density	1.37 g/cm3
Relative vapour density	no data available
Particle characteristics	no data available

10.Stability and reactivity

10.1 Reactivity

no data available

10.2 Chemical stability

Stable under recommended storage conditions.

10.3 Possibility of hazardous reactions

no data available

10.4 Conditions to avoid

no data available

10.5 Incompatible materials

no data available

10.6 Hazardous decomposition products

no data available

11.Toxicological information

Acute toxicity

Oral: no data available
Inhalation: no data available
Dermal: no data available

Skin corrosion/irritation

no data available

Serious eye damage/irritation

no data available

Respiratory or skin sensitization

no data available

Germ cell mutagenicity

no data available

Carcinogenicity

no data available

Reproductive toxicity

no data available

STOT-single exposure

no data available

STOT-repeated exposure

no data available

Aspiration hazard

no data available

12.Ecological information

12.1 Toxicity

Toxicity to fish: no data available
Toxicity to daphnia and other aquatic invertebrates: no data available
Toxicity to algae: no data available
Toxicity to microorganisms: no data available

12.2 Persistence and degradability

no data available

12.3 Bioaccumulative potential

no data available

12.4 Mobility in soil

no data available

12.5 Other adverse effects

no data available

13.Disposal considerations

13.1 Disposal methods

Product

The material can be disposed of by removal to a licensed chemical destruction plant or by controlled incineration with flue gas scrubbing. Do not contaminate water, foodstuffs, feed or seed by storage or disposal. Do not discharge to sewer systems.

Contaminated packaging

Containers can be triply rinsed (or equivalent) and offered for recycling or reconditioning. Alternatively, the packaging can be punctured to make it unusable for other purposes and then be disposed of in a sanitary landfill. Controlled incineration with flue gas scrubbing is possible for combustible packaging materials.

14.Transport information

14.1 UN Number

ADR/RID: UN1544

IMDG: UN1544

IATA: UN1544

14.2 UN Proper Shipping Name

ADR/RID: ALKALOIDS, SOLID, N.O.S. or ALKALOID SALTS, SOLID, N.O.S.

IMDG: ALKALOIDS, SOLID, N.O.S. or ALKALOID SALTS, SOLID, N.O.S.

IATA: ALKALOIDS, SOLID, N.O.S. or ALKALOID SALTS, SOLID, N.O.S.

14.3 Transport hazard class(es)

ADR/RID: 6.1(b)

IMDG: 6.1(b)

IATA: 6.1(b)

14.4 Packing group, if applicable

ADR/RID: III

IMDG: III

IATA: III

14.5 Environmental hazards

ADR/RID: no

IMDG: no

IATA: no

14.6 Special precautions for user

no data available

14.7 Transport in bulk according to Annex II of MARPOL 73/78 and the IBC Code

no data available

15.Regulatory information

15.1 Safety, health and environmental regulations specific for the product in question

Chemical name	Common names and synonyms	CAS number	EC number
Docetaxel anhydrous	Docetaxel anhydrous	114977-28-5	none
European Inventory of Existing Commercial Chemical Substances (EINECS)			Not Listed.
EC Inventory			Not Listed.
United States Toxic Substances Control Act (TSCA) Inventory			Not Listed.
China Catalog of Hazardous chemicals 2015			Not Listed.
New Zealand Inventory of Chemicals (NZIoC)			Not Listed.
Philippines Inventory of Chemicals and Chemical Substances (PICCS)			Not Listed.
Vietnam National Chemical Inventory			Not Listed.
Chinese Chemical Inventory of Existing Chemical Substances (China IECSC)			Not Listed.

16.Other information

Information on revision

Creation Date	Aug 19, 2017
Revision Date	Aug 19, 2017

Abbreviations and acronyms

CAS: Chemical Abstracts Service
ADR: European Agreement concerning the International Carriage of Dangerous Goods by Road
RID: Regulation concerning the International Carriage of Dangerous Goods by Rail
IMDG: International Maritime Dangerous Goods
IATA: International Air Transportation Association
TWA: Time Weighted Average
STEL: Short term exposure limit
LC50: Lethal Concentration 50%
LD50: Lethal Dose 50%
EC50: Effective Concentration 50%

References

IPCS - The International Chemical Safety Cards (ICSC), website: http://www.ilo.org/dyn/icsc/showcard.home
HSDB - Hazardous Substances Data Bank, website: https://toxnet.nlm.nih.gov/newtoxnet/hsdb.htm
IARC - International Agency for Research on Cancer, website: http://www.iarc.fr/
eChemPortal - The Global Portal to Information on Chemical Substances by OECD, website: http://www.echemportal.org/echemportal/index?pageID=0&request_locale=en
CAMEO Chemicals, website: http://cameochemicals.noaa.gov/search/simple
ChemIDplus, website: http://chem.sis.nlm.nih.gov/chemidplus/chemidlite.jsp
ERG - Emergency Response Guidebook by U.S. Department of Transportation, website: http://www.phmsa.dot.gov/hazmat/library/erg
Germany GESTIS-database on hazard substance, website: http://www.dguv.de/ifa/gestis/gestis-stoffdatenbank/index-2.jsp
ECHA - European Chemicals Agency, website: https://echa.europa.eu/

Disclaimer: The above information is believed to be correct but does not purport to be all inclusive and shall be used only as a guide. The information in this document is based on the present state of our knowledge and is applicable to the product with regard to appropriate safety precautions. It does not represent any guarantee of the properties of the product. We as supplier shall not be held liable for any damage resulting from handling or from contact with the above product.

MSDS Expand: MSDS
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  Docetaxel      Revision number: 6
  SAFETY DATA SHEET

Section 1. IDENTIFICATION
  Product name:        Docetaxel

  Revision number:        6

Section 2. HAZARDS IDENTIFICATION
  GHS classification
  PHYSICAL HAZARDS        Not classified
  HEALTH HAZARDS
  Reproductive toxicity        Category 2
    Not classified
  ENVIRONMENTAL HAZARDS
  GHS label elements, including precautionary statements
  Pictograms or hazard symbols
  Signal word        Warning
  Hazard statements        Suspected of damaging fertility or the unborn child
  Precautionary statements:
  [Prevention]        Obtain special instructions before use.
    Do not handle until all safety precautions have been read and understood.
    Use personal protective equipment as required.
  [Response]        IF exposed or concerned: Get medical advice/attention.
    Store locked up.
  [Storage]
  [Disposal]        Dispose of contents/container through a waste management company authorized by
    the local government.

Section 3. COMPOSITION/INFORMATION ON INGREDIENTS
  Substance/mixture:        Substance
  Components:        Docetaxel
  Percent:        >98.0%(HPLC)
  CAS Number:        114977-28-5
  Synonyms:        N-Debenzoyl-N-tert-butoxycarbonyl-10-deacetyltaxol
  Chemical Formula:        C43H53NO14

Section 4. FIRST AID MEASURES
  Inhalation:        Remove victim to fresh air and keep at rest in a position comfortable for breathing.
    Get medical advice/attention.
  Skin contact:        Remove/Take off immediately all contaminated clothing. Gently wash with plenty of
    soap and water. Get medical advice/attention.
  Docetaxel

Section 4. FIRST AID MEASURES
  Eye contact:        Rinse cautiously with water for several minutes. Remove contact lenses, if present
    and easy to do. Get medical advice/attention.
  Ingestion:        Get medical advice/attention.Rinse mouth.
  Protection of first-aiders:        A rescuer should wear personal protective equipment, such as rubber gloves and air-
    tight goggles.

Section 5. FIRE-FIGHTING MEASURES
  Suitable extinguishing        Dry chemical, foam, water spray, carbon dioxide.
  media:
  Specific hazards arising Take care as it may decompose upon combustion or in high temperatures to
  from the chemical:        generate poisonous fume.
  Precautions for firefighters: Fire-extinguishing work is done from the windward and the suitable fire-extinguishing
    method according to the surrounding situation is used. Uninvolved persons should
    evacuate to a safe place. In case of fire in the surroundings: Remove movable
    containers if safe to do so.
  Special protective        When extinguishing fire, be sure to wear personal protective equipment.
  equipment for firefighters:

Section 6. ACCIDENTAL RELEASE MEASURES
    Use extra personal protective equipment (P3 filter respirator for toxic particles). Keep
  Personal precautions,
  protective equipment and people away from and upwind of spill/leak. Entry to non-involved personnel should
  emergency procedures: be controlled around the leakage area by roping off, etc.
  Environmental precautions: Prevent product from entering drains.
  Methods and materials for Sweep dust to collect it into an airtight container, taking care not to disperse it.
  containment and cleaning Adhered or collected material should be promptly disposed of, in accordance with
  up: appropriate laws and regulations.

Section 7. HANDLING AND STORAGE
  Precautions for safe handling
    Handling is performed in a well ventilated place. Wear suitable protective equipment.
  Technical measures:
    Prevent dispersion of dust. Wash hands and face thoroughly after handling.
    Use a closed system if possible. Use a local exhaust if dust or aerosol will be
    generated.
  Advice on safe handling: Avoid all contact!
  Conditions for safe storage, including any
  incompatibilities
  Storage conditions:        Keep container tightly closed. Store in a cool and dark place.
    Store locked up.
    Store away from incompatible materials such as oxidizing agents.
  Packaging material:        Comply with laws.

Section 8. EXPOSURE CONTROLS / PERSONAL PROTECTION
    Install a closed system or local exhaust. Also install safety shower and eye bath.
  Engineering controls:
  Personal protective equipment
  Respiratory protection: Dust respirator, self-contained breathing apparatus(SCBA), supplied air respirator,
    etc. Use respirators approved under appropriate government standards and follow
    local and national regulations.
  Hand protection:        Impervious gloves.
    Safety goggles. A face-shield, if the situation requires.
  Eye protection:
  Skin and body protection: Impervious protective clothing. Protective boots, if the situation requires.

Section 9. PHYSICAL AND CHEMICAL PROPERTIES
  Physical state (20°C):        Solid
    Crystal- Powder
  Form:
  Colour:        White - Almost white
    No data available
  Odour:
  Docetaxel

Section 9. PHYSICAL AND CHEMICAL PROPERTIES
  pH: No data available
  Melting point/freezing point:188°C (dec.)
  Boiling point/range:        No data available
  Flash point:        No data available
  Flammability or explosive
  limits:
  Lower:        No data available
  Upper:        No data available
  Relative density:        No data available
  Solubility(ies):
  [Water]        Insoluble
  [Other solvents]
  Very soluble:        Acetone, Dimethylformamide(DMF), Dimethyl sulfoxide(DMSO)
  Soluble:        Methanol, Ethanol, Dichloromethane
  Slightly soluble:        Acetonitrile
  Log Pow:        3.2

Section 10. STABILITY AND REACTIVITY
    Stable under proper conditions.
  Chemical stability:
  Possibility of hazardous No special reactivity has been reported.
  reactions:
  Incompatible materials: Oxidizing agents
  Hazardous decomposition Carbon monoxide, Carbon dioxide, Nitrogen oxides (NOx)
  products:

Section 11. TOXICOLOGICAL INFORMATION
  Acute Toxicity:        ivn-mus LD50:156 mg/kg
  Skin corrosion/irritation: No data available
  Serious eye        No data available
  damage/irritation:
  Germ cell mutagenicity: No data available
  Carcinogenicity:
  IARC =        No data available
  NTP =        No data available
  Reproductive toxicity:        No data available
  RTECS Number:        DA4172750

Section 12. ECOLOGICAL INFORMATION
  Ecotoxicity:
    No data available
  Fish:
  Crustacea:        No data available
    No data available
  Algae:
  Persistence / degradability: No data available
    No data available
  Bioaccumulative
  potential(BCF):
  Mobility in soil
  Log Pow:        3.2
    No data available
  Soil adsorption (Koc):
  Henry's Law        No data available
  constant(PaM3/mol):

Section 13. DISPOSAL CONSIDERATIONS
    Recycle to process, if possible. Consult your local regional authorities. You may be able to dissolve or mix material
    with a combustible solvent and burn in a chemical incinerator equipped with an afterburner and scrubber system.
    Observe all federal, state and local regulations when disposing of the substance.
  Docetaxel

Section 14. TRANSPORT INFORMATION
  Hazards Class:        Does not correspond to the classification standard of the United Nations
  UN-No:        Not listed

Section 15. REGULATORY INFORMATION
  Safe management ordinance of dangerous chemical product (State Council announces on January 26, 2002
  and revised on February 16,2011): Safe use and production, the storage of a dangerous chemical, transport,
    loading and unloading were prescribed.

SECTION 16 - ADDITIONAL INFORMATION
N/A

Spectrum

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114977-28-5

C43H53NO14

Description

Basic Info

Chemical Name

Synonyms

CAS No.

Molecular Formula

Molecular Weight

PSA

LogP

Numbering system

Properties

Appearance & Physical State

Density

Boiling Point

Melting Point

Flash Point

Refractive Index

Stability

Storage Condition

Safety Info

RTECS

Hazard Class

Safety Statements

HS Code

Packing Group

RIDADR

Risk Statements

Hazard Codes

MSDS

SDS 1.0

SDS 1.0

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

1.Identification

1.1 GHS Product identifier

1.2 Other means of identification

1.3 Recommended use of the chemical and restrictions on use

1.4 Supplier's details

1.5 Emergency phone number

2.Hazard identification

2.1 Classification of the substance or mixture

2.2 GHS label elements, including precautionary statements

2.3 Other hazards which do not result in classification

3.Composition/information on ingredients

3.1 Substances

4.First-aid measures

4.1 Description of necessary first-aid measures

General advice

If inhaled

In case of skin contact

In case of eye contact

If swallowed

4.2 Most important symptoms/effects, acute and delayed

4.3 Indication of immediate medical attention and special treatment needed, if necessary

5.Fire-fighting measures

5.1 Extinguishing media

Suitable extinguishing media

5.2 Specific hazards arising from the chemical

5.3 Special protective actions for fire-fighters

6.Accidental release measures

6.1 Personal precautions, protective equipment and emergency procedures

6.2 Environmental precautions

6.3 Methods and materials for containment and cleaning up

7.Handling and storage

7.1 Precautions for safe handling

7.2 Conditions for safe storage, including any incompatibilities

8.Exposure controls/personal protection

8.1 Control parameters

Occupational Exposure limit values

Biological limit values

8.2 Appropriate engineering controls

8.3 Individual protection measures, such as personal protective equipment (PPE)

Eye/face protection

Skin protection

Respiratory protection

Thermal hazards

9.Physical and chemical properties