WARFARIN, (S)-

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

National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C19H16O4
Molecular Weight	308.3279
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of WARFARIN, (S)-

Structure Search

SMILES

CC(=O)C[C@@H](C1=CC=CC=C1)C2=C(O)C3=C(OC2=O)C=CC=C3

InChI

InChIKey=PJVWKTKQMONHTI-HNNXBMFYSA-N

InChI=1S/C19H16O4/c1-12(20)11-15(13-7-3-2-4-8-13)17-18(21)14-9-5-6-10-16(14)23-19(17)22/h2-10,15,21H,11H2,1H3/t15-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C19H16O4
Molecular Weight	308.3279
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	1 / 1
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 08:00:20 UTC 2023` Edited by `admin` on `Sat Dec 16 08:00:20 UTC 2023`
Record UNII	HP31W7FNP4
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

WARFARIN, (S)-

Common Name

English

(-)-WARFARIN

Common Name

English

COUMARIN, 3-(.ALPHA.-ACETONYLBENZYL)-4-HYDROXY-, (S)-(-)-

Systematic Name

English

2H-1-BENZOPYRAN-2-ONE, 4-HYDROXY-3-(3-OXO-1-PHENYLBUTYL)-, (S)-

Systematic Name

English

S-WARFARIN

Common Name

English

4-HYDROXY-3-((1S)-3-OXO-1-PHENYLBUTYL)-2H-1-BENZOPYRAN-2-ONE

Systematic Name

English

(S)-WARFARIN

Common Name

English

2H-1-BENZOPYRAN-2-ONE, 4-HYDROXY-3-((1S)-3-OXO-1-PHENYLBUTYL)-

Systematic Name

English

WARFARIN, L-

Common Name

English

Classification Tree Code System Code

NCI_THESAURUS

C263

Created by admin on Sat Dec 16 08:00:20 UTC 2023 , Edited by admin on Sat Dec 16 08:00:20 UTC 2023

Code System Code Type Description

DRUG BANK

DB14055

Created by admin on Sat Dec 16 08:00:20 UTC 2023 , Edited by admin on Sat Dec 16 08:00:20 UTC 2023

PRIMARY

NCI_THESAURUS

C148031

Created by admin on Sat Dec 16 08:00:20 UTC 2023 , Edited by admin on Sat Dec 16 08:00:20 UTC 2023

PRIMARY

NCIT

CHEBI

87738

Created by admin on Sat Dec 16 08:00:20 UTC 2023 , Edited by admin on Sat Dec 16 08:00:20 UTC 2023

PRIMARY

ECHA (EC/EINECS)

226-907-3

Created by admin on Sat Dec 16 08:00:20 UTC 2023 , Edited by admin on Sat Dec 16 08:00:20 UTC 2023

PRIMARY

EPA CompTox

DTXSID50873382

Created by admin on Sat Dec 16 08:00:20 UTC 2023 , Edited by admin on Sat Dec 16 08:00:20 UTC 2023

PRIMARY

CAS

5543-57-7

Created by admin on Sat Dec 16 08:00:20 UTC 2023 , Edited by admin on Sat Dec 16 08:00:20 UTC 2023

PRIMARY

PUBCHEM

54688261

Created by admin on Sat Dec 16 08:00:20 UTC 2023 , Edited by admin on Sat Dec 16 08:00:20 UTC 2023

PRIMARY

FDA UNII

HP31W7FNP4

Created by admin on Sat Dec 16 08:00:20 UTC 2023 , Edited by admin on Sat Dec 16 08:00:20 UTC 2023

PRIMARY

Related Record Type Details


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WARFARIN

ENANTIOMER -> RACEMATE


					L9DP834D1P

CYTOCHROME P450 2C9

METABOLIC ENZYME -> SUBSTRATE

Related Record Type Details


					O1ZW392097

4'-HYDROXYWARFARIN, (S)-

METABOLITE -> PARENT


					370456X8MG

DEHYDROWARFARIN

METABOLITE -> PARENT

Comments:

with hepatic microsomal preparations from 33 individuals revealed that the mean ra tes of formation of metabolites of S-warfarin decreased i n the order 7-0H >> 6-0H = 4-0H = dehycl rowarfarin > 8-0H = 10-0H (Kaminsky ct al. , 1984)

Interaction Type:

IN-VITRO

Qualification:

MODERATE

790295572A

7-HYDROXYWARFARIN, (S)-

METABOLITE -> PARENT


					C4H75SHN38

6-HYDROXYWARFARIN, (S)-

METABOLITE -> PARENT


					62GD2Z2LXM

WARFARIN ALCOHOL, (S,R)-

METABOLITE LESS ACTIVE -> PARENT


					98LBL83E6T

WARFARIN ALCOHOL, (S,S)-

METABOLITE LESS ACTIVE -> PARENT