Related Searches: Docetaxel, taxotere docetaxel

Docetaxel(CAS No. 114977-28-5)

Docetaxel C43H53NO14 (cas 114977-28-5) Molecular Structure

114977-28-5 Structure

Identification and Related Records

【Name】
Docetaxel
【CAS Registry number】
114977-28-5
【Synonyms】
Benzenepropanoicacid, b-[[(1,1-dimethylethoxy)carbonyl]amino]-a-hydroxy-,12b-(acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-4,6,11-trihydroxy-4a,8,13,13-tetramethyl-5-oxo-7,11-methano-1H-cyclodeca[3,4]benz[1,2-b]oxet-9-ylester, [2aR-[2aa,4b,4ab,6b,9a(aR*,bS*),11a,12a,12aa,12ba]]-
Docetaxel Winthrop
Docetaxol
Docetaxolum
HSDB 6965
RP 56976
Taxotere
【Molecular Formula】
C43H53NO14 (Products with the same molecular formula)
【Molecular Weight】
807.88
【Inchi】
InChI=1/C43H53NO14/c1-22-26(55-37(51)32(48)30(24-15-11-9-12-16-24)44-38(52)58-39(3,4)5)20-43(53)35(56-36(50)25-17-13-10-14-18-25)33-41(8,34(49)31(47)29(22)40(43,6)7)27(46)19-28-42(33,21-54-28)57-23(2)45/h9-18,26-28,30-33,35,46-48,53H,19-21H2,1-8H3,(H,44,52)/t26-,27-,28+,30-,31+,32?,33-,35-,41+,42-,43+/m0/s1
【Canonical SMILES】
CC1=C2C(C(=O)C3(C(CC4C(C3C(C(C2(C)C)(CC1OC(=O)C(C(C5=CC=CC=C5)NC(=O)OC(C)(C)C)O)O)OC(=O)C6=CC=CC=C6)(CO4)OC(=O)C)O)C)O
【Isomers smiles】
CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C
[C@@H]1OC(=O)C([C@H](C5=CC=CC=C5)NC(=O)OC(C)(C)C)O)O)OC(=O)C6=CC=CC=C6)
(CO4)OC(=O)C)O)C)O
【MOL File】
114977-28-5.mol

Chemical and Physical Properties

【Appearance】
Off-white Cryst.
【Density】
1.37 g/cm3
【Melting Point】
232℃
【Boiling Point】
900.5 °C at 760 mmHg
【Refractive Index】
1.618
【Flash Point】
498.4 °C
【Alpha】
-36 o (C=0.74,ETOH)
【Solubilities】
60 g/L
【Stability】
Stable at normal temperatures and pressures.
【Storage temp】
Keep tightly closed. Store at +4°C.
【Spectral properties】
UV max: 230, 275, 283 nm
Optical rotation: - 36 degrees (c = 0.74 in ethanol)
【Computed Properties】
Molecular Weight:807.87922 [g/mol]
Molecular Formula:C43H53NO14
XLogP3:1.6
H-Bond Donor:5
H-Bond Acceptor:14
Rotatable Bond Count:13
Tautomer Count:18
Exact Mass:807.346605
MonoIsotopic Mass:807.346605
Topological Polar Surface Area:224
Heavy Atom Count:58
Formal Charge:0
Complexity:1660
Isotope Atom Count:0
Defined Atom Stereocenter Count:10
Undefined Atom Stereocenter Count:1
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1

Safety and Handling

【Hazard Codes】
Xi:Irritant
【Risk Statements】
R36/37/38
【Safety Statements 】
26-36/37
【HazardClass】
6.1(b)
【Safety】
Hazard Codes:IrritantXi
Risk Statements: 36/37/38
R36/37/38: Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36/37
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36/37: Wear suitable protective clothing and gloves.
RIDADR: 1544
RTECS: DA4172750
HazardClass: 6.1(b)
PackingGroup: III

【PackingGroup 】
III
【Transport】
1544
【Specification】

Adverse side effects of Docetaxel (CAS NO.114977-28-5) includes tumour cells as well as hair follicles, bone marrow and other germ cells. Thus,common chemotherapy side effects such as alopecia occur; sometimes this can be permanent.

【Disposal Methods】

SRP: At the time of review, criteria for land treatment or burial (sanitary landfill) disposal practices are subject to significant revision. Prior to implementing land disposal of waste residue (including waste sludge), consult with environmental regulatory agencies for guidance on acceptable disposal practices.

Use and Manufacturing

【Use and Manufacturing】
Methods of Manufacturing
By semisynthesis beginning with precursor extracted from the renewable needle biomass of yew plants.
【Usage】
Corresponds to the cancer drug taxotere. Influence on microtubule assembly.

Biomedical Effects and Toxicity

【Pharmacological Action】
Substances that inhibit or prevent the proliferation of NEOPLASMS.
【Therapeutic Uses】
Docetaxel has clinical activity against breast & ovarian cancers.
Docetaxel is indicated for treatment of locally advanced or metastatic breast cancer after failure of first-line or subsequent chemotherapy. /Included in US product labeling/
Docetaxel is also accepted as first-line chemotherapy for locally advanced or metastatic breast cancer, based on reports of objective tumor response rates (mostly partial but some complete) in phase II clinical trials. /NOT included in US product labeling/
Docetaxel is indicated for treatment of locally advanced or metastatic non?small cell lung carcinoma after platinum-based chemotherapy has failed. /Included in US product labeling/
It is also accepted as first-line treatment for non-small cell lung carcinoma , based on reports of objective tumor response rates in phase II clinical trials. /NOT included in US product labeling/
Docetaxel is accepted for treatment of small-cell lung carcinoma after first-line chemotherapy has failed, based on reports of objective tumor response rates in phase II clinical trials. /NOT included in US product labeling/
Docetaxel is accepted for treatment of ovarian carcinoma after prior platinum-based therapy has failed, based on reports of objective tumor response rates in phase II clinical trials. /NOT included in US product labeling/
Docetaxel is indicated, alone or in combination with other chemotherapeutic agents, as reasonable medical therapy at some point in the management of patients with advanced, recurrent, or metastatic head and neck carcinoma (Evidence rating: IIID). /NOT included in US product labeling/
Docetaxel is indicated, alone or in combination with other chemotherapeutic agents, as reasonable medical therapy at some point in the management of patients with hormone-refractory or hormone-sensitive prostate carcinoma (Evidence rating: IIID). /NOT included in US product labeling/
Docetaxel is indicated, alone or in combination with other chemotherapeutic agents, as reasonable medical therapy at some point in the management of patients with bladder (urothelial) carcinoma. /NOT included in US product labeling/

Supplier Location

Top Suppliers

Diamond member MOSINTER GROUP LIMITED
Country:ChinaChina
Business Type:Manufacturer
Telephone:86-574-89212210
Diamond member Hubei XinRunde Chemical Co., Ltd
Country:ChinaChina
Business Type:Manufacturer
Telephone:86-188-74586545
Diamond member Shanghai Do Chemical Co.,Ltd
Country:ChinaChina
Business Type:Manufacturer
Telephone:86-21-33758180
Diamond member Hangzhou Dayangchem Co., Ltd.
Country:ChinaChina
Business Type:Manufacturer
Telephone:86-571-88938639
Diamond member Wuhan Fortuna Chemical Co., Ltd.
Country:ChinaChina
Business Type:Manufacturer
Telephone:0086-27-59207850
Diamond member AOPHARM
Country:ChinaChina
Business Type:Manufacturer
Telephone:86-311-66600578
Diamond member Jinlan Pharm-Drugs Technology Co., Limited
Country:ChinaChina
Business Type:Manufacturer
Telephone:86-571-85829152
Diamond member Nanjing Chemlin Chemical Co., Ltd.
Country:ChinaChina
Business Type:Manufacturer
Telephone:86-25-83697070
Diamond member Finetech Industry limited.
Country:ChinaChina
Business Type:Manufacturer
Telephone:86-27-87465837
Diamond member Hangzhou J&H Chemical Co., Ltd
Country:ChinaChina
Business Type:Manufacturer
Telephone:86-571-87396430

Quick Search

Cas    Name

Related products

Docetaxel

N-Debenzoyl-N-(tert-butoxycarbonyl)taxol;

Docetaxel trihydrate

Benzenepropanoicacid, b-[[(1,1-dimethylethoxy)carbonyl]amino]-a-hydroxy-,(2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-12b-(acetyloxy)-12-(benzoyloxy)-2a,3,4,4...

Docetaxel-D9

Docetaxel-D9;Taxotere-d9;Docetaxol-d9;N-Debenzoyl-N-tert-butoxycarbonyl-10-deacetyltaxol-d9;RP 56976-d9;DOCETAXEL, d9-(SH)

Ethyl Docetaxel

Ethyl Docetaxel

Desbenzoyl Docetaxel

Desbenzoyl Docetaxel

2'-Ac-Docetaxel

2'-Ac-Docetaxel;2'-O-Acetyldocetaxel

7-Methyl Docetaxel

7-Methyl Docetaxel

2’-TBS-docetaxel

;2'-TBDMS-docetaxel;2'-O-(tert-butyldimethylsilyl)docetaxel;2'-O-tert-butyldimethylsilyldocetaxel;2'-(tert-butyldimethylsilyl)docetaxel

10-Methyl Docetaxel

10-Methyl Docetaxel