DOCETAXEL ANHYDROUS

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

National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C43H53NO14
Molecular Weight	807.8792
Optical Activity	UNSPECIFIED
Defined Stereocenters	11 / 11
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of DOCETAXEL ANHYDROUS

Structure Search

SMILES

[H][C@]12[C@H](OC(=O)C3=CC=CC=C3)[C@]4(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)C5=CC=CC=C5)C(C)=C([C@@H](O)C(=O)[C@]1(C)[C@@H](O)C[C@H]6OC[C@@]26OC(C)=O)C4(C)C

InChI

InChIKey=ZDZOTLJHXYCWBA-VCVYQWHSSA-N

InChI=1S/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

HIDE SMILES / InChI

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 15:38:30 UTC 2023` Edited by `admin` on `Fri Dec 15 15:38:30 UTC 2023`
Record UNII	699121PHCA
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

DOCETAXEL ANHYDROUS

Common Name

English

DOCETAXEL TEVA

Brand Name

English

BIND 014

Common Name

English

docetaxel [INN]

Common Name

English

BIND 014 [WHO-DD]

Common Name

English

DOCETAXEL WINTHROP

Brand Name

English

DOCETAXEL KABI

Brand Name

English

(2R,3S)-N-CARBOXY-3-PHENYLISOSERINE, N-TERT-BUTYL ESTER, 13-ESTER WITH 5.BETA.,20-EPOXY-1,2.ALPHA.,4,7.BETA.,10.BETA.,13.ALPHA.-HEXAHYDROXYTAX-11-EN-9-ONE 4-ACETATE 2-BENZOATE

Common Name

English

DOCEFREZ

Brand Name

English

DOCETAXEL [MI]

Common Name

English

Docetaxel anhydrous [WHO-DD]

Common Name

English

DOCETAXEL [HSDB]

Common Name

English

CABAZITAXEL METABOLITE (RP56976)

Common Name

English

DOCETAXEL [JAN]

Common Name

English

NSC-628503

Code

English

DOCETAXEL TEVA PHARMA

Brand Name

English

DOCETAXEL, ANHYDROUS

Common Name

English

RP56976

Common Name

English

CKD-810

Code

English

DOCETAXEL MYLAN

Brand Name

English

DOCETAXEL ACCORD

Brand Name

English

Classification Tree Code System Code

EMA ASSESSMENT REPORTS

DOCETAXEL WINTHROP (AUTHORIZED: STOMACH NEOPLASMS)

Created by admin on Fri Dec 15 15:38:30 UTC 2023 , Edited by admin on Fri Dec 15 15:38:30 UTC 2023

EMA ASSESSMENT REPORTS

DOCEFREZ (WITHDRAWN: PROSTATIC NEOPLASMS)

Created by admin on Fri Dec 15 15:38:30 UTC 2023 , Edited by admin on Fri Dec 15 15:38:30 UTC 2023

EMA ASSESSMENT REPORTS

DOCETAXEL WINTHROP (AUTHORIZED: PROSTATIC, NEOPLASMS)

Created by admin on Fri Dec 15 15:38:30 UTC 2023 , Edited by admin on Fri Dec 15 15:38:30 UTC 2023

EMA ASSESSMENT REPORTS

DOCEFREEZ (WITHDRAWN: STOMACH NEOPLASMS)

Created by admin on Fri Dec 15 15:38:30 UTC 2023 , Edited by admin on Fri Dec 15 15:38:30 UTC 2023

NCI_THESAURUS

C67437

Created by admin on Fri Dec 15 15:38:30 UTC 2023 , Edited by admin on Fri Dec 15 15:38:30 UTC 2023

NDF-RT

N0000175085

Created by admin on Fri Dec 15 15:38:30 UTC 2023 , Edited by admin on Fri Dec 15 15:38:30 UTC 2023

EMA ASSESSMENT REPORTS

DOCETAXEL TEVA (AUTHORIZED: PROSTATIC NEOPLASMS)

Created by admin on Fri Dec 15 15:38:30 UTC 2023 , Edited by admin on Fri Dec 15 15:38:30 UTC 2023

EMA ASSESSMENT REPORTS

DOCTAXELL TEVA (AUTHORIZED: STOMACH NEOPLASMS)

Created by admin on Fri Dec 15 15:38:30 UTC 2023 , Edited by admin on Fri Dec 15 15:38:30 UTC 2023

EMA ASSESSMENT REPORTS

DOCETAXEL TEVA PHARMA (WITHDRAWN: PROSTATIC, NEOPLASMS)

Created by admin on Fri Dec 15 15:38:30 UTC 2023 , Edited by admin on Fri Dec 15 15:38:30 UTC 2023

WHO-ATC

L01CD02

Created by admin on Fri Dec 15 15:38:30 UTC 2023 , Edited by admin on Fri Dec 15 15:38:30 UTC 2023

EMA ASSESSMENT REPORTS

DOCETAXEL MYLAN (WITHDRAWN: PROSTATIC NEOPLASMS)

Created by admin on Fri Dec 15 15:38:30 UTC 2023 , Edited by admin on Fri Dec 15 15:38:30 UTC 2023

NDF-RT

N0000175592

Created by admin on Fri Dec 15 15:38:30 UTC 2023 , Edited by admin on Fri Dec 15 15:38:30 UTC 2023

EMA ASSESSMENT REPORTS

DOCETAXEL ACCORD (PROSTATIC NEOPLASMS)

Created by admin on Fri Dec 15 15:38:30 UTC 2023 , Edited by admin on Fri Dec 15 15:38:30 UTC 2023

EMA ASSESSMENT REPORTS

DOCETAXEL KABI (AUTHORIZED: PROSTATIC NEOPLASMS)

Created by admin on Fri Dec 15 15:38:30 UTC 2023 , Edited by admin on Fri Dec 15 15:38:30 UTC 2023

NCI_THESAURUS

C1490

Created by admin on Fri Dec 15 15:38:30 UTC 2023 , Edited by admin on Fri Dec 15 15:38:30 UTC 2023

Code System Code Type Description

HSDB

6965

Created by admin on Fri Dec 15 15:38:30 UTC 2023 , Edited by admin on Fri Dec 15 15:38:30 UTC 2023

PRIMARY

EPA CompTox

DTXSID0040464

Created by admin on Fri Dec 15 15:38:30 UTC 2023 , Edited by admin on Fri Dec 15 15:38:30 UTC 2023

PRIMARY

INN

6621

Created by admin on Fri Dec 15 15:38:30 UTC 2023 , Edited by admin on Fri Dec 15 15:38:30 UTC 2023

PRIMARY

SMS_ID

100000090616

Created by admin on Fri Dec 15 15:38:30 UTC 2023 , Edited by admin on Fri Dec 15 15:38:30 UTC 2023

PRIMARY

MERCK INDEX

m4712

Created by admin on Fri Dec 15 15:38:30 UTC 2023 , Edited by admin on Fri Dec 15 15:38:30 UTC 2023

PRIMARY

Merck Index

EVMPD

SUB22289

Created by admin on Fri Dec 15 15:38:30 UTC 2023 , Edited by admin on Fri Dec 15 15:38:30 UTC 2023

PRIMARY

DAILYMED

699121PHCA

Created by admin on Fri Dec 15 15:38:30 UTC 2023 , Edited by admin on Fri Dec 15 15:38:30 UTC 2023

PRIMARY

NCI_THESAURUS

C61734

Created by admin on Fri Dec 15 15:38:30 UTC 2023 , Edited by admin on Fri Dec 15 15:38:30 UTC 2023

PRIMARY

EVMPD

SUB12492MIG

Created by admin on Fri Dec 15 15:38:30 UTC 2023 , Edited by admin on Fri Dec 15 15:38:30 UTC 2023

PRIMARY

NSC

628503

Created by admin on Fri Dec 15 15:38:30 UTC 2023 , Edited by admin on Fri Dec 15 15:38:30 UTC 2023

PRIMARY

CHEBI

4672

Created by admin on Fri Dec 15 15:38:30 UTC 2023 , Edited by admin on Fri Dec 15 15:38:30 UTC 2023

PRIMARY

DRUG BANK

DB01248

Created by admin on Fri Dec 15 15:38:30 UTC 2023 , Edited by admin on Fri Dec 15 15:38:30 UTC 2023

PRIMARY

PUBCHEM

148124

Created by admin on Fri Dec 15 15:38:30 UTC 2023 , Edited by admin on Fri Dec 15 15:38:30 UTC 2023

PRIMARY

FDA UNII

699121PHCA

Created by admin on Fri Dec 15 15:38:30 UTC 2023 , Edited by admin on Fri Dec 15 15:38:30 UTC 2023

PRIMARY

CAS

114977-28-5

Created by admin on Fri Dec 15 15:38:30 UTC 2023 , Edited by admin on Fri Dec 15 15:38:30 UTC 2023

PRIMARY

RXCUI

1299922

Created by admin on Fri Dec 15 15:38:30 UTC 2023 , Edited by admin on Fri Dec 15 15:38:30 UTC 2023

PRIMARY

RxNorm

Related Record Type Details


					PUO0521HZV

CYTOCHROME P450 3A4

METABOLIC ENZYME -> SUBSTRATE

Amount:


					6D53G0FD0Z

PLASMA PROTEIN FRACTION (HUMAN)

BINDER->LIGAND

Comments:

In vitro studies showed that docetaxel is about 94% protein bound, mainly to α1-acid glycoprotein, albumin, and lipoproteins. In three cancer patients, the in vitro binding to plasma proteins was found to be approximately 97%.

Interaction Type:

BINDING

Amount:


					15H5577CQD

DOCETAXEL

SALT/SOLVATE -> PARENT

Amount:


					MLQ4KNR245

DERIVATIVE -> PARENT

Amount:


					15H5577CQD

DOCETAXEL

SOLVATE->ANHYDROUS


					805SU96HKF

CYTOCHROME P450 3A5

METABOLIC ENZYME -> SUBSTRATE

Amount:


					15H5577CQD

DOCETAXEL

SUBSTANCE->BASIS OF STRENGTH

Amount:


					699121PHCA

DOCETAXEL ANHYDROUS

EXCRETED UNCHANGED

Qualification:

FECAL

Amount:

Related Record Type Details


					51F690397J

PARENT -> METABOLITE ACTIVE

Amount:


					R52HN99WWC

Sudocetaxel Zendusortide

PARENT -> METABOLITE ACTIVE

Amount:


					I56A6D7JJV

METABOLITE -> PARENT

Comments:

In vitro drug interaction studies revealed that docetaxel is metabolized by the CYP3A4 isoenzyme

Interaction Type:

MINOR

Qualification:

FECAL

Amount:


					9H18VZL99W

METABOLITE -> PARENT

Comments:

In vitro drug interaction studies revealed that docetaxel is metabolized by the CYP3A4 isoenzyme

Interaction Type:

MINOR

Qualification:

FECAL

Amount:


					27K6GL8M1V

METABOLITE -> PARENT

Comments:

In vitro drug interaction studies revealed that docetaxel is metabolized by the CYP3A4 isoenzyme

Interaction Type:

MINOR

Qualification:

FECAL

Amount:


					49E4SSQ1AG

METABOLITE -> PARENT

Comments:

In vitro drug interaction studies revealed that docetaxel is metabolized by the CYP3A4 isoenzyme

Interaction Type:

MAJOR

Qualification:

FECAL

Amount:

Related Record Type Details


					699121PHCA

DOCETAXEL ANHYDROUS

ACTIVE MOIETY

Amount:

Name	Property Type	Amount	Referenced Substance	Defining	Parameters	References
Volume of Distribution	PHARMACOKINETIC		`699121PHCA` DOCETAXEL ANHYDROUS