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 6-HYDROXYWARFARIN, (S)-

SMILES

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

InChI

InChIKey=IQWPEJBUOJQPDE-AWEZNQCLSA-N
InChI=1S/C19H16O5/c1-11(20)9-14(12-5-3-2-4-6-12)17-18(22)15-10-13(21)7-8-16(15)24-19(17)23/h2-8,10,14,21-22H,9H2,1H3/t14-/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 09:26:42 UTC 2023
Edited
by admin
on Sat Dec 16 09:26:42 UTC 2023
Record UNII
C4H75SHN38
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
6-HYDROXYWARFARIN, (S)-
Common Name English
(S)-6-HYDROXYWARFARIN
Common Name English
6-HYDROXY-S-WARFARIN
Common Name English
2H-1-BENZOPYRAN-2-ONE, 4,6-DIHYDROXY-3-((1S)-3-OXO-1-PHENYLBUTYL)-
Systematic Name English
Code System Code Type Description
CAS
63740-80-7
Created by admin on Sat Dec 16 09:26:42 UTC 2023 , Edited by admin on Sat Dec 16 09:26:42 UTC 2023
PRIMARY
FDA UNII
C4H75SHN38
Created by admin on Sat Dec 16 09:26:42 UTC 2023 , Edited by admin on Sat Dec 16 09:26:42 UTC 2023
PRIMARY
EPA CompTox
DTXSID70716368
Created by admin on Sat Dec 16 09:26:42 UTC 2023 , Edited by admin on Sat Dec 16 09:26:42 UTC 2023
PRIMARY
PUBCHEM
54731323
Created by admin on Sat Dec 16 09:26:42 UTC 2023 , Edited by admin on Sat Dec 16 09:26:42 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE