ESTRAMUSTINE

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

National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C23H31Cl2NO3
Molecular Weight	440.403
Optical Activity	UNSPECIFIED
Defined Stereocenters	5 / 5
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of ESTRAMUSTINE

Structure Search

SMILES

[H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]3([H])C4=C(CC[C@@]23[H])C=C(OC(=O)N(CCCl)CCCl)C=C4

InChI

InChIKey=FRPJXPJMRWBBIH-RBRWEJTLSA-N

InChI=1S/C23H31Cl2NO3/c1-23-9-8-18-17-5-3-16(29-22(28)26(12-10-24)13-11-25)14-15(17)2-4-19(18)20(23)6-7-21(23)27/h3,5,14,18-21,27H,2,4,6-13H2,1H3/t18-,19-,20+,21+,23+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C23H31Cl2NO3
Molecular Weight	440.403
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	5 / 5
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 15:04:03 UTC 2023` Edited by `admin` on `Fri Dec 15 15:04:03 UTC 2023`
Record UNII	35LT29625A
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

ESTRAMUSTINE

Official Name

English

RO-22-2296/000

Code

English

RO 22-2296/000

Code

English

NSC-89201

Code

English

Estramustine [WHO-DD]

Common Name

English

estramustine [INN]

Common Name

English

RO-222296000

Code

English

RO-22-2296000

Code

English

ESTRA-1,3,5(10)-TRIENE-3,17-DIOL, 3-(BIS(2-CHLOROETHYL)CARBAMATE), (17B)-

Common Name

English

ESTRAMUSTINE [USAN]

Common Name

English

ESTRAMUSTINE [MI]

Common Name

English

ESTRAMUSTINE [VANDF]

Common Name

English

Estradiol 3-[bis(2-chloroethyl)carbamate]

Common Name

English

Classification Tree Code System Code

NDF-RT

N0000007246

Created by admin on Fri Dec 15 15:04:03 UTC 2023 , Edited by admin on Fri Dec 15 15:04:03 UTC 2023

WHO-ATC

L01XX11

Created by admin on Fri Dec 15 15:04:03 UTC 2023 , Edited by admin on Fri Dec 15 15:04:03 UTC 2023

NDF-RT

N0000175558

Created by admin on Fri Dec 15 15:04:03 UTC 2023 , Edited by admin on Fri Dec 15 15:04:03 UTC 2023

LIVERTOX

373

Created by admin on Fri Dec 15 15:04:03 UTC 2023 , Edited by admin on Fri Dec 15 15:04:03 UTC 2023

NDF-RT

N0000007246

Created by admin on Fri Dec 15 15:04:03 UTC 2023 , Edited by admin on Fri Dec 15 15:04:03 UTC 2023

NCI_THESAURUS

C697

Created by admin on Fri Dec 15 15:04:03 UTC 2023 , Edited by admin on Fri Dec 15 15:04:03 UTC 2023

NCI_THESAURUS

C25974

Created by admin on Fri Dec 15 15:04:03 UTC 2023 , Edited by admin on Fri Dec 15 15:04:03 UTC 2023

NDF-RT

N0000007659

Created by admin on Fri Dec 15 15:04:03 UTC 2023 , Edited by admin on Fri Dec 15 15:04:03 UTC 2023

WHO-VATC

QL01XX11

Created by admin on Fri Dec 15 15:04:03 UTC 2023 , Edited by admin on Fri Dec 15 15:04:03 UTC 2023

NDF-RT

N0000000236

Created by admin on Fri Dec 15 15:04:03 UTC 2023 , Edited by admin on Fri Dec 15 15:04:03 UTC 2023

Code System Code Type Description

EVMPD

SUB07246MIG

Created by admin on Fri Dec 15 15:04:03 UTC 2023 , Edited by admin on Fri Dec 15 15:04:03 UTC 2023

PRIMARY

MESH

D004961

Created by admin on Fri Dec 15 15:04:03 UTC 2023 , Edited by admin on Fri Dec 15 15:04:03 UTC 2023

PRIMARY

MERCK INDEX

m5031

Created by admin on Fri Dec 15 15:04:03 UTC 2023 , Edited by admin on Fri Dec 15 15:04:03 UTC 2023

PRIMARY

Merck Index

WIKIPEDIA

ESTRAMUSTINE

Created by admin on Fri Dec 15 15:04:03 UTC 2023 , Edited by admin on Fri Dec 15 15:04:03 UTC 2023

PRIMARY

RXCUI

4089

Created by admin on Fri Dec 15 15:04:03 UTC 2023 , Edited by admin on Fri Dec 15 15:04:03 UTC 2023

PRIMARY

RxNorm

CHEBI

4868

Created by admin on Fri Dec 15 15:04:03 UTC 2023 , Edited by admin on Fri Dec 15 15:04:03 UTC 2023

PRIMARY

SMS_ID

100000082381

Created by admin on Fri Dec 15 15:04:03 UTC 2023 , Edited by admin on Fri Dec 15 15:04:03 UTC 2023

PRIMARY

DRUG BANK

DB01196

Created by admin on Fri Dec 15 15:04:03 UTC 2023 , Edited by admin on Fri Dec 15 15:04:03 UTC 2023

PRIMARY

EPA CompTox

DTXSID8046458

Created by admin on Fri Dec 15 15:04:03 UTC 2023 , Edited by admin on Fri Dec 15 15:04:03 UTC 2023

PRIMARY

NCI_THESAURUS

C479

Created by admin on Fri Dec 15 15:04:03 UTC 2023 , Edited by admin on Fri Dec 15 15:04:03 UTC 2023

PRIMARY

ChEMBL

CHEMBL1575

Created by admin on Fri Dec 15 15:04:03 UTC 2023 , Edited by admin on Fri Dec 15 15:04:03 UTC 2023

PRIMARY

PUBCHEM

259331

Created by admin on Fri Dec 15 15:04:03 UTC 2023 , Edited by admin on Fri Dec 15 15:04:03 UTC 2023

PRIMARY

FDA UNII

35LT29625A

Created by admin on Fri Dec 15 15:04:03 UTC 2023 , Edited by admin on Fri Dec 15 15:04:03 UTC 2023

PRIMARY

ECHA (EC/EINECS)

221-076-3

Created by admin on Fri Dec 15 15:04:03 UTC 2023 , Edited by admin on Fri Dec 15 15:04:03 UTC 2023

PRIMARY

CAS

2998-57-4

Created by admin on Fri Dec 15 15:04:03 UTC 2023 , Edited by admin on Fri Dec 15 15:04:03 UTC 2023

PRIMARY

DRUG CENTRAL

1065

Created by admin on Fri Dec 15 15:04:03 UTC 2023 , Edited by admin on Fri Dec 15 15:04:03 UTC 2023

PRIMARY

INN

2877

Created by admin on Fri Dec 15 15:04:03 UTC 2023 , Edited by admin on Fri Dec 15 15:04:03 UTC 2023

PRIMARY

NSC

89201

Created by admin on Fri Dec 15 15:04:03 UTC 2023 , Edited by admin on Fri Dec 15 15:04:03 UTC 2023

PRIMARY

DAILYMED

35LT29625A

Created by admin on Fri Dec 15 15:04:03 UTC 2023 , Edited by admin on Fri Dec 15 15:04:03 UTC 2023

PRIMARY

Related Record Type Details


					4TI98Z838E

ESTRADIOL

METABOLITE -> PARENT

Comments:

Metabolite produced by hydrolysis. Estramustine,s primary mechanism of antineoplastic action is inhibition of mitosis.

Qualification:

PLASMA

Amount:


					MUZ9585Y7B

ESTRAMUSTINE PHOSPHATE

PRODRUG -> METABOLITE ACTIVE

Related Record Type Details


					35LT29625A

ACTIVE MOIETY