DOCETAXEL

U.S. Department of Health & Human Services Divider Arrow

National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C43H53NO14.3H2O
Molecular Weight	861.9251
Optical Activity	UNSPECIFIED
Defined Stereocenters	11 / 11
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of DOCETAXEL

Structure Search

SMILES

O.O.O.[H][C@@]12C[C@H](O)[C@@]3(C)C(=O)[C@H](O)C4=C(C)[C@H](C[C@@](O)([C@@H](OC(=O)C5=CC=CC=C5)[C@]3([H])[C@@]1(CO2)OC(C)=O)C4(C)C)OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)C6=CC=CC=C6

InChI

InChIKey=XCDIRYDKECHIPE-QHEQPUDQSA-N

InChI=1S/C43H53NO14.3H2O/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);3*1H2/t26-,27-,28+,30-,31+,32+,33-,35-,41+,42-,43+;;;/m0.../s1

HIDE SMILES / InChI

Molecular Formula	H2O
Molecular Weight	18.0153
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Molecular Formula	C43H53NO14
Molecular Weight	807.8792
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	10 / 11
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 15:26:50 UTC 2023` Edited by `admin` on `Fri Dec 15 15:26:50 UTC 2023`
Record UNII	15H5577CQD
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

DOCETAXEL

Official Name

English

TAXOTERE

Brand Name

English

(2R,3S)-N-Carboxy-3-phenylisoserine, N-tert-butyl ester, 13-ester with 5β,20-epoxy-1,2α,4,7β,10β,13α-hexahydroxytax-11-en-9-one 4-acetate 2-benzoate, trihydrate

Common Name

English

DOCETAXEL (AS TRIHYDRATE)

Common Name

English

DOCETAXEL [VANDF]

Common Name

English

DOCETAXEL HYDRATE [JAN]

Common Name

English

Docetaxel [WHO-DD]

Common Name

English

RP 56976

Code

English

DOCETAXEL [USP-RS]

Common Name

English

DOCETAXEL [USAN]

Common Name

English

DOCETAXEL TRIHYDRATE

Common Name

English

DOCETAXEL [USP MONOGRAPH]

Common Name

English

DOCETAXEL [EMA EPAR]

Common Name

English

DOCETAXEL [USP IMPURITY]

Common Name

English

DOCETAXEL TRIHYDRATE [MI]

Common Name

English

DOCETAXEL TRIHYDRATE [EP MONOGRAPH]

Common Name

English

DOCETAXEL [EP MONOGRAPH]

Common Name

English

XRP6976

Code

English

RP-56976

Code

English

DOCETAXEL [ORANGE BOOK]

Common Name

English

DOCETAXEL HYDRATE

Common Name

English

Classification Tree Code System Code

NCI_THESAURUS

C67437

Created by admin on Fri Dec 15 15:26:50 UTC 2023 , Edited by admin on Fri Dec 15 15:26:50 UTC 2023

EMA ASSESSMENT REPORTS

DOCEFREZ(WITHDRAWN: BREAST, PROSTETIC, HEAD AND NECK NEOPLASMS, CARCINOMA,NON-SMALL-CELL-LUNG, ADENOCARCINOMA)

Created by admin on Fri Dec 15 15:26:50 UTC 2023 , Edited by admin on Fri Dec 15 15:26:50 UTC 2023

EMA ASSESSMENT REPORTS

DOCETAXEL TEVA (AUTHORIZED: BREAST, PROSTETIC, HEAD AND NECK NEOPLASMS, CARCINOMA,NON-SMALL-CELL-LUNG, ADENOCARCINOMA)

Created by admin on Fri Dec 15 15:26:50 UTC 2023 , Edited by admin on Fri Dec 15 15:26:50 UTC 2023

EMA ASSESSMENT REPORTS

DOCETAXEL KABI (AUTHORIZED: BREAST, PROSTETIC, HEAD AND NECK NEOPLASMS, CARCINOMA,NON-SMALL-CELL-LUNG, ADENOCARCINOMA)

Created by admin on Fri Dec 15 15:26:50 UTC 2023 , Edited by admin on Fri Dec 15 15:26:50 UTC 2023

EMA ASSESSMENT REPORTS

TAXESPIRA (AUTHORISED: CARCINOMA, NON-SMALL-CELL LUNG)

Created by admin on Fri Dec 15 15:26:50 UTC 2023 , Edited by admin on Fri Dec 15 15:26:50 UTC 2023

LIVERTOX

NBK548899

Created by admin on Fri Dec 15 15:26:50 UTC 2023 , Edited by admin on Fri Dec 15 15:26:50 UTC 2023

NDF-RT

N0000175592

Created by admin on Fri Dec 15 15:26:50 UTC 2023 , Edited by admin on Fri Dec 15 15:26:50 UTC 2023

WHO-VATC

QL01CD02

Created by admin on Fri Dec 15 15:26:50 UTC 2023 , Edited by admin on Fri Dec 15 15:26:50 UTC 2023

EMA ASSESSMENT REPORTS

TAXOTERE (AUTHORIZED: STOMACH NEOPLASMS)

Created by admin on Fri Dec 15 15:26:50 UTC 2023 , Edited by admin on Fri Dec 15 15:26:50 UTC 2023

EMA ASSESSMENT REPORTS

DOCETAXEL WINTHROP (AUTHORIZED: BREAST, PROSTETIC, HEAD AND NECK NEOPLASMS, CARCINOMA,NON-SMALL-CELL-LUNG, ADENOCARCINOMA)

Created by admin on Fri Dec 15 15:26:50 UTC 2023 , Edited by admin on Fri Dec 15 15:26:50 UTC 2023

EMA ASSESSMENT REPORTS

DOCETAXEL MYLAN (AUTHORIZED: BREAST, PROSTETIC, HEAD AND NECK NEOPLASMS, CARCINOMA,NON-SMALL-CELL-LUNG, ADENOCARCINOMA)

Created by admin on Fri Dec 15 15:26:50 UTC 2023 , Edited by admin on Fri Dec 15 15:26:50 UTC 2023

EMA ASSESSMENT REPORTS

DOCETAXEL TEVA PHARMA(AUTHORIZED: CARCINOMA, NON-SMALL-CELL LUNG)

Created by admin on Fri Dec 15 15:26:50 UTC 2023 , Edited by admin on Fri Dec 15 15:26:50 UTC 2023

EMA ASSESSMENT REPORTS

DOCETAXEL ACCORD (AUTHORIZED: BREAST, PROSTETIC, HEAD AND NECK NEOPLASMS, CARCINOMA,NON-SMALL-CELL-LUNG, ADENOCARCINOMA)

Created by admin on Fri Dec 15 15:26:50 UTC 2023 , Edited by admin on Fri Dec 15 15:26:50 UTC 2023

EMA ASSESSMENT REPORTS

TAXOTERE (AUTHORIZED: BREAST, PROSTETIC, STOMACH, HEAD AND NECK NEOPLASMS, CARCINOMA,NON-SMALL-CELL-LUNG, ADENOCARCINOMA)

Created by admin on Fri Dec 15 15:26:50 UTC 2023 , Edited by admin on Fri Dec 15 15:26:50 UTC 2023

WHO-ESSENTIAL MEDICINES LIST

8.2

Created by admin on Fri Dec 15 15:26:50 UTC 2023 , Edited by admin on Fri Dec 15 15:26:50 UTC 2023

WHO-ATC

L01CD02

Created by admin on Fri Dec 15 15:26:50 UTC 2023 , Edited by admin on Fri Dec 15 15:26:50 UTC 2023

FDA ORPHAN DRUG

649918

Created by admin on Fri Dec 15 15:26:50 UTC 2023 , Edited by admin on Fri Dec 15 15:26:50 UTC 2023

NCI_THESAURUS

C1490

Created by admin on Fri Dec 15 15:26:50 UTC 2023 , Edited by admin on Fri Dec 15 15:26:50 UTC 2023

Code System Code Type Description

CHEBI

4672

Created by admin on Fri Dec 15 15:26:50 UTC 2023 , Edited by admin on Fri Dec 15 15:26:50 UTC 2023

PRIMARY

EVMPD

SUB25446

Created by admin on Fri Dec 15 15:26:50 UTC 2023 , Edited by admin on Fri Dec 15 15:26:50 UTC 2023

PRIMARY

MESH

C067311

Created by admin on Fri Dec 15 15:26:50 UTC 2023 , Edited by admin on Fri Dec 15 15:26:50 UTC 2023

PRIMARY

USAN

FF-68

Created by admin on Fri Dec 15 15:26:50 UTC 2023 , Edited by admin on Fri Dec 15 15:26:50 UTC 2023

PRIMARY

EPA CompTox

DTXSID80872444

Created by admin on Fri Dec 15 15:26:50 UTC 2023 , Edited by admin on Fri Dec 15 15:26:50 UTC 2023

PRIMARY

MERCK INDEX

m4712

Created by admin on Fri Dec 15 15:26:50 UTC 2023 , Edited by admin on Fri Dec 15 15:26:50 UTC 2023

PRIMARY

Merck Index

WIKIPEDIA

DOCETAXEL

Created by admin on Fri Dec 15 15:26:50 UTC 2023 , Edited by admin on Fri Dec 15 15:26:50 UTC 2023

PRIMARY

PUBCHEM

148123

Created by admin on Fri Dec 15 15:26:50 UTC 2023 , Edited by admin on Fri Dec 15 15:26:50 UTC 2023

PRIMARY

RS_ITEM_NUM

1224551

Created by admin on Fri Dec 15 15:26:50 UTC 2023 , Edited by admin on Fri Dec 15 15:26:50 UTC 2023

PRIMARY

ChEMBL

CHEMBL92

Created by admin on Fri Dec 15 15:26:50 UTC 2023 , Edited by admin on Fri Dec 15 15:26:50 UTC 2023

PRIMARY

RXCUI

72962

Created by admin on Fri Dec 15 15:26:50 UTC 2023 , Edited by admin on Fri Dec 15 15:26:50 UTC 2023

PRIMARY

RxNorm

LACTMED

Docetaxel

Created by admin on Fri Dec 15 15:26:50 UTC 2023 , Edited by admin on Fri Dec 15 15:26:50 UTC 2023

PRIMARY

IUPHAR

6809

Created by admin on Fri Dec 15 15:26:50 UTC 2023 , Edited by admin on Fri Dec 15 15:26:50 UTC 2023

PRIMARY

CHEBI

59809

Created by admin on Fri Dec 15 15:26:50 UTC 2023 , Edited by admin on Fri Dec 15 15:26:50 UTC 2023

PRIMARY

SMS_ID

100000089469

Created by admin on Fri Dec 15 15:26:50 UTC 2023 , Edited by admin on Fri Dec 15 15:26:50 UTC 2023

PRIMARY

NCI_THESAURUS

C1526

Created by admin on Fri Dec 15 15:26:50 UTC 2023 , Edited by admin on Fri Dec 15 15:26:50 UTC 2023

PRIMARY

DRUG CENTRAL

939

Created by admin on Fri Dec 15 15:26:50 UTC 2023 , Edited by admin on Fri Dec 15 15:26:50 UTC 2023

PRIMARY

DAILYMED

15H5577CQD

Created by admin on Fri Dec 15 15:26:50 UTC 2023 , Edited by admin on Fri Dec 15 15:26:50 UTC 2023

PRIMARY

CAS

148408-66-6

Created by admin on Fri Dec 15 15:26:50 UTC 2023 , Edited by admin on Fri Dec 15 15:26:50 UTC 2023

PRIMARY

DRUG BANK

DB01248

Created by admin on Fri Dec 15 15:26:50 UTC 2023 , Edited by admin on Fri Dec 15 15:26:50 UTC 2023

PRIMARY

FDA UNII

15H5577CQD

Created by admin on Fri Dec 15 15:26:50 UTC 2023 , Edited by admin on Fri Dec 15 15:26:50 UTC 2023

PRIMARY

Related Record Type Details


					699121PHCA

DOCETAXEL ANHYDROUS

PARENT -> SALT/SOLVATE


					699121PHCA

DOCETAXEL ANHYDROUS

BASIS OF STRENGTH->SUBSTANCE

Interaction Type:

ASSAY (HPLC)

Qualification:

EP

Amount:


					699121PHCA

DOCETAXEL ANHYDROUS

BASIS OF STRENGTH->SUBSTANCE

Interaction Type:

ASSAY (HPLC)

Qualification:

USP

Amount:


					699121PHCA

DOCETAXEL ANHYDROUS

ANHYDROUS->SOLVATE


					22ES734693

MULTIDRUG RESISTANCE PROTEIN 1

TRANSPORTER -> SUBSTRATE

Related Record Type Details


					N8LS9B1ERY

2'-O-(4-DIETHYLAMINOBUTANOYL)DOCETAXEL

PRODRUG -> METABOLITE ACTIVE

Amount:

Related Record Type Details


					23YRN771SO

4-EPI-6-OXODOCETAXEL

IMPURITY -> PARENT

Interaction Type:

CHROMATOGRAPHIC PURITY (HPLC/UV)

Qualification:

USP

Amount:


					BVQ8BYC7MI

IMPURITY -> PARENT

Interaction Type:

CHROMATOGRAPHIC PURITY (HPLC/UV)

Qualification:

EP

Amount:


					JZ14779AZJ

2-O-DESBENZOYL-2-O-TIGLYLDOCETAXEL

IMPURITY -> PARENT

Interaction Type:

CHROMATOGRAPHIC PURITY (HPLC/UV)

Qualification:

USP

Amount:


					BVQ8BYC7MI

IMPURITY -> PARENT

Interaction Type:

CHROMATOGRAPHIC PURITY (HPLC/UV)

Qualification:

USP

Amount:


					VB305F5FMZ

IMPURITY -> PARENT

Interaction Type:

CHROMATOGRAPHIC PURITY (HPLC/UV)

Qualification:

USP

Amount:


					VB305F5FMZ

IMPURITY -> PARENT

Interaction Type:

CHROMATOGRAPHIC PURITY (HPLC/UV)

Qualification:

EP

Amount:

Related Record Type Details


					699121PHCA

DOCETAXEL ANHYDROUS

ACTIVE MOIETY

Name	Property Type	Amount	Referenced Substance	Defining	Parameters	References
Volume of Distribution	PHARMACOKINETIC

Biological Half-life	PHARMACOKINETIC