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

Details

Stereochemistry ABSOLUTE
Molecular Formula C19H16O5
Molecular Weight 324.3273
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4'-HYDROXYWARFARIN, (S)-

SMILES

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

InChI

InChIKey=RRZWAMPDGRWRPF-HNNXBMFYSA-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/t15-/m0/s1

HIDE SMILES / InChI

Molecular Formula C19H16O5
Molecular Weight 324.3273
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 09:26:43 GMT 2023
Edited
by admin
on Sat Dec 16 09:26:43 GMT 2023
Record UNII
O1ZW392097
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4'-HYDROXYWARFARIN, (S)-
Common Name English
4'-HYDROXY-S-WARFARIN
Common Name English
(S)-4'-HYDROXYWARFARIN
Common Name English
2H-1-BENZOPYRAN-2-ONE, 4-HYDROXY-3-((1S)-1-(4-HYDROXYPHENYL)-3-OXOBUTYL)-
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID901314211
Created by admin on Sat Dec 16 09:26:43 GMT 2023 , Edited by admin on Sat Dec 16 09:26:43 GMT 2023
PRIMARY
CAS
68407-05-6
Created by admin on Sat Dec 16 09:26:43 GMT 2023 , Edited by admin on Sat Dec 16 09:26:43 GMT 2023
PRIMARY
PUBCHEM
54717350
Created by admin on Sat Dec 16 09:26:43 GMT 2023 , Edited by admin on Sat Dec 16 09:26:43 GMT 2023
PRIMARY
FDA UNII
O1ZW392097
Created by admin on Sat Dec 16 09:26:43 GMT 2023 , Edited by admin on Sat Dec 16 09:26:43 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE