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

Details

Stereochemistry ABSOLUTE
Molecular Formula C19H18O4
Molecular Weight 310.3438
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of WARFARIN ALCOHOL, (S,S)-

SMILES

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

InChI

InChIKey=ZUJMMGHIYSAEOU-WFASDCNBSA-N
InChI=1S/C19H18O4/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/h2-10,12,15,20-21H,11H2,1H3/t12-,15-/m0/s1

HIDE SMILES / InChI

Molecular Formula C19H18O4
Molecular Weight 310.3438
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 09:09:48 GMT 2023
Edited
by admin
on Sat Dec 16 09:09:48 GMT 2023
Record UNII
98LBL83E6T
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
WARFARIN ALCOHOL, (S,S)-
Common Name English
2H-1-BENZOPYRAN-2-ONE, 4-HYDROXY-3-((1S,3S)-3-HYDROXY-1-PHENYLBUTYL)-
Systematic Name English
S,S-WARFARIN ALCOHOL
Common Name English
Code System Code Type Description
FDA UNII
98LBL83E6T
Created by admin on Sat Dec 16 09:09:48 GMT 2023 , Edited by admin on Sat Dec 16 09:09:48 GMT 2023
PRIMARY
EPA CompTox
DTXSID40193268
Created by admin on Sat Dec 16 09:09:48 GMT 2023 , Edited by admin on Sat Dec 16 09:09:48 GMT 2023
PRIMARY
PUBCHEM
56842683
Created by admin on Sat Dec 16 09:09:48 GMT 2023 , Edited by admin on Sat Dec 16 09:09:48 GMT 2023
PRIMARY
CAS
40281-80-9
Created by admin on Sat Dec 16 09:09:48 GMT 2023 , Edited by admin on Sat Dec 16 09:09:48 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE LESS ACTIVE