ALLYLESTRENOL

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National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C21H32O
Molecular Weight	300.4782
Optical Activity	UNSPECIFIED
Defined Stereocenters	6 / 6
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of ALLYLESTRENOL

Structure Search

SMILES

[H][C@@]12CC[C@@](O)(CC=C)[C@@]1(C)CC[C@]3([H])[C@@]4([H])CCCC=C4CC[C@@]23[H]

InChI

InChIKey=ATXHVCQZZJYMCF-XUDSTZEESA-N

InChI=1S/C21H32O/c1-3-12-21(22)14-11-19-18-9-8-15-6-4-5-7-16(15)17(18)10-13-20(19,21)2/h3,6,16-19,22H,1,4-5,7-14H2,2H3/t16-,17+,18+,19-,20-,21-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C21H32O
Molecular Weight	300.4782
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	6 / 6
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 15:12:38 UTC 2023` Edited by `admin` on `Fri Dec 15 15:12:38 UTC 2023`
Record UNII	I47VB5DZ8O
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

ALLYLESTRENOL

Official Name

English

Allylestrenol [WHO-DD]

Common Name

English

ALLYLESTRENOL [MI]

Common Name

English

ALLYLESTRENOL [MART.]

Common Name

English

ALLYLESTRENOL [JAN]

Common Name

English

17.ALPHA.-ALLYLESTR-4-EN-17.BETA.-OL

Common Name

English

NSC-37723

Code

English

ALLYLOESTRENOL

Common Name

English

allylestrenol [INN]

Common Name

English

PERSELIN

Brand Name

English

Classification Tree Code System Code

NCI_THESAURUS

C776

Created by admin on Fri Dec 15 15:12:38 UTC 2023 , Edited by admin on Fri Dec 15 15:12:38 UTC 2023

WHO-ATC

G03DC01

Created by admin on Fri Dec 15 15:12:38 UTC 2023 , Edited by admin on Fri Dec 15 15:12:38 UTC 2023

WHO-VATC

QG03DC01

Created by admin on Fri Dec 15 15:12:38 UTC 2023 , Edited by admin on Fri Dec 15 15:12:38 UTC 2023

Code System Code Type Description

NSC

37723

Created by admin on Fri Dec 15 15:12:38 UTC 2023 , Edited by admin on Fri Dec 15 15:12:38 UTC 2023

PRIMARY

EVMPD

SUB05339MIG

Created by admin on Fri Dec 15 15:12:38 UTC 2023 , Edited by admin on Fri Dec 15 15:12:38 UTC 2023

PRIMARY

EPA CompTox

DTXSID9022574

Created by admin on Fri Dec 15 15:12:38 UTC 2023 , Edited by admin on Fri Dec 15 15:12:38 UTC 2023

PRIMARY

CAS

432-60-0

Created by admin on Fri Dec 15 15:12:38 UTC 2023 , Edited by admin on Fri Dec 15 15:12:38 UTC 2023

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ChEMBL

CHEMBL2105618

Created by admin on Fri Dec 15 15:12:38 UTC 2023 , Edited by admin on Fri Dec 15 15:12:38 UTC 2023

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SMS_ID

100000087457

Created by admin on Fri Dec 15 15:12:38 UTC 2023 , Edited by admin on Fri Dec 15 15:12:38 UTC 2023

PRIMARY

PUBCHEM

235905

Created by admin on Fri Dec 15 15:12:38 UTC 2023 , Edited by admin on Fri Dec 15 15:12:38 UTC 2023

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MESH

D000500

Created by admin on Fri Dec 15 15:12:38 UTC 2023 , Edited by admin on Fri Dec 15 15:12:38 UTC 2023

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DRUG CENTRAL

125

Created by admin on Fri Dec 15 15:12:38 UTC 2023 , Edited by admin on Fri Dec 15 15:12:38 UTC 2023

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RXCUI

525

Created by admin on Fri Dec 15 15:12:38 UTC 2023 , Edited by admin on Fri Dec 15 15:12:38 UTC 2023

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RxNorm

INN

953

Created by admin on Fri Dec 15 15:12:38 UTC 2023 , Edited by admin on Fri Dec 15 15:12:38 UTC 2023

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NCI_THESAURUS

C80270

Created by admin on Fri Dec 15 15:12:38 UTC 2023 , Edited by admin on Fri Dec 15 15:12:38 UTC 2023

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DRUG BANK

DB01431

Created by admin on Fri Dec 15 15:12:38 UTC 2023 , Edited by admin on Fri Dec 15 15:12:38 UTC 2023

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FDA UNII

I47VB5DZ8O

Created by admin on Fri Dec 15 15:12:38 UTC 2023 , Edited by admin on Fri Dec 15 15:12:38 UTC 2023

PRIMARY

ECHA (EC/EINECS)

207-082-9

Created by admin on Fri Dec 15 15:12:38 UTC 2023 , Edited by admin on Fri Dec 15 15:12:38 UTC 2023

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WIKIPEDIA

ALLYLESTRENOL

Created by admin on Fri Dec 15 15:12:38 UTC 2023 , Edited by admin on Fri Dec 15 15:12:38 UTC 2023

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MERCK INDEX

m1552

Created by admin on Fri Dec 15 15:12:38 UTC 2023 , Edited by admin on Fri Dec 15 15:12:38 UTC 2023

PRIMARY

Merck Index

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					I47VB5DZ8O

ACTIVE MOIETY