CLOCOUMAROL

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National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	RACEMIC
Molecular Formula	C21H21ClO3
Molecular Weight	356.843
Optical Activity	( + / - )
Defined Stereocenters	0 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of CLOCOUMAROL

Structure Search

SMILES

CCCC(C1=CC=C(CCCl)C=C1)C2=C(O)C3=C(OC2=O)C=CC=C3

InChI

InChIKey=XEBSDNCEYSPGIU-UHFFFAOYSA-N

InChI=1S/C21H21ClO3/c1-2-5-16(15-10-8-14(9-11-15)12-13-22)19-20(23)17-6-3-4-7-18(17)25-21(19)24/h3-4,6-11,16,23H,2,5,12-13H2,1H3

HIDE SMILES / InChI

Molecular Formula	C21H21ClO3
Molecular Weight	356.843
Charge	0
Count

Stereochemistry	RACEMIC
Additional Stereochemistry	No
Defined Stereocenters	0 / 1
E/Z Centers	0
Optical Activity	( + / - )

Description
Sources: https://www.ncbi.nlm.nih.gov/pubmed/3445816 | https://www.ncbi.nlm.nih.gov/pubmed/43239

Clocoumarol is a synthetic antagonist of vitamin K, developed in the 1970s. Clocoumarol exhibits strong anticoagulant properties in rat and rabbit.

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 17:14:51 GMT 2023` Edited by `admin` on `Sat Dec 16 17:14:51 GMT 2023`
Record UNII	M9K14Z7S3L
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

CLOCOUMAROL

Official Name

English

3-(P-(2-CHLOROETHYL)-.ALPHA.-PROPYLBENZYL)-4-HYDROXYCOUMARIN

Common Name

English

CLOCOUMAROL, (±)-

Common Name

English

(±)-CLOCOUMAROL

Common Name

English

clocoumarol [INN]

Common Name

English

2H-1-BENZOPYRAN-2-ONE, 3-(1-(4-(2-CHLOROETHYL)PHENYL)BUTYL)-4-HYDROXY-

Systematic Name

English

Classification Tree Code System Code

NCI_THESAURUS

C263

Created by admin on Sat Dec 16 17:14:51 GMT 2023 , Edited by admin on Sat Dec 16 17:14:51 GMT 2023

Code System Code Type Description

PUBCHEM

54683990

Created by admin on Sat Dec 16 17:14:51 GMT 2023 , Edited by admin on Sat Dec 16 17:14:51 GMT 2023

PRIMARY

EVMPD

SUB06687MIG

Created by admin on Sat Dec 16 17:14:51 GMT 2023 , Edited by admin on Sat Dec 16 17:14:51 GMT 2023

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SMS_ID

100000084306

Created by admin on Sat Dec 16 17:14:51 GMT 2023 , Edited by admin on Sat Dec 16 17:14:51 GMT 2023

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INN

3520

Created by admin on Sat Dec 16 17:14:51 GMT 2023 , Edited by admin on Sat Dec 16 17:14:51 GMT 2023

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ECHA (EC/EINECS)

252-748-4

Created by admin on Sat Dec 16 17:14:51 GMT 2023 , Edited by admin on Sat Dec 16 17:14:51 GMT 2023

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MESH

C006046

Created by admin on Sat Dec 16 17:14:51 GMT 2023 , Edited by admin on Sat Dec 16 17:14:51 GMT 2023

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FDA UNII

M9K14Z7S3L

Created by admin on Sat Dec 16 17:14:51 GMT 2023 , Edited by admin on Sat Dec 16 17:14:51 GMT 2023

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ChEMBL

CHEMBL2104148

Created by admin on Sat Dec 16 17:14:51 GMT 2023 , Edited by admin on Sat Dec 16 17:14:51 GMT 2023

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CAS

35838-63-2

Created by admin on Sat Dec 16 17:14:51 GMT 2023 , Edited by admin on Sat Dec 16 17:14:51 GMT 2023

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EPA CompTox

DTXSID00957242

Created by admin on Sat Dec 16 17:14:51 GMT 2023 , Edited by admin on Sat Dec 16 17:14:51 GMT 2023

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NCI_THESAURUS

C77991

Created by admin on Sat Dec 16 17:14:51 GMT 2023 , Edited by admin on Sat Dec 16 17:14:51 GMT 2023

PRIMARY

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CLOCOUMAROL, (S)-

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CLOCOUMAROL, (R)-

ENANTIOMER -> RACEMATE

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					M9K14Z7S3L

ACTIVE MOIETY