U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry RACEMIC
Molecular Formula C19H16O5
Molecular Weight 324.3273
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4'-HYDROXYWARFARIN

SMILES

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

InChI

InChIKey=RRZWAMPDGRWRPF-UHFFFAOYSA-N
InChI=1S/C19H16O5/c1-11(20)10-15(12-6-8-13(21)9-7-12)17-18(22)14-4-2-3-5-16(14)24-19(17)23/h2-9,15,21-22H,10H2,1H3

HIDE SMILES / InChI

Molecular Formula C19H16O5
Molecular Weight 324.3273
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

PubMed

PubMed

TitleDatePubMed
Stereoselective interactions of warfarin enantiomers with the pregnane X nuclear receptor in gene regulation of major drug-metabolizing cytochrome P450 enzymes.
2010 Dec
Hydroxywarfarin metabolites potently inhibit CYP2C9 metabolism of S-warfarin.
2010 May 17
Substance Class Chemical
Created
by admin
on Sat Dec 16 08:59:51 UTC 2023
Edited
by admin
on Sat Dec 16 08:59:51 UTC 2023
Record UNII
3D8G6747YQ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4'-HYDROXYWARFARIN
Common Name English
2H-1-BENZOPYRAN-2-ONE, 4-HYDROXY-3-(1-(4-HYDROXYPHENYL)-3-OXOBUTYL)-
Systematic Name English
Code System Code Type Description
CAS
24579-14-4
Created by admin on Sat Dec 16 08:59:51 UTC 2023 , Edited by admin on Sat Dec 16 08:59:51 UTC 2023
PRIMARY
EPA CompTox
DTXSID80947449
Created by admin on Sat Dec 16 08:59:51 UTC 2023 , Edited by admin on Sat Dec 16 08:59:51 UTC 2023
PRIMARY
FDA UNII
3D8G6747YQ
Created by admin on Sat Dec 16 08:59:51 UTC 2023 , Edited by admin on Sat Dec 16 08:59:51 UTC 2023
PRIMARY
PUBCHEM
54682146
Created by admin on Sat Dec 16 08:59:51 UTC 2023 , Edited by admin on Sat Dec 16 08:59:51 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE INACTIVE