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Details

Stereochemistry RACEMIC
Molecular Formula C19H18O4
Molecular Weight 310.3438
Optical Activity ( + / - )
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of WARFARIN ALCOHOL, (±)-(R,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-SWLSCSKDSA-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 08:45:02 GMT 2023
Edited
by admin
on Sat Dec 16 08:45:02 GMT 2023
Record UNII
36J71T6R7X
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
WARFARIN ALCOHOL, (±)-(R,S)-
Common Name English
2H-1-BENZOPYRAN-2-ONE, 4-HYDROXY-3-((1R,3S)-3-HYDROXY-1-PHENYLBUTYL)-, REL-
Systematic Name English
2H-1-BENZOPYRAN-2-ONE, 4-HYDROXY-3-(3-HYDROXY-1-PHENYLBUTYL)-, (R*,S*)-(±)-
Systematic Name English
Code System Code Type Description
FDA UNII
36J71T6R7X
Created by admin on Sat Dec 16 08:45:02 GMT 2023 , Edited by admin on Sat Dec 16 08:45:02 GMT 2023
PRIMARY
CAS
76496-89-4
Created by admin on Sat Dec 16 08:45:02 GMT 2023 , Edited by admin on Sat Dec 16 08:45:02 GMT 2023
PRIMARY
PUBCHEM
54736486
Created by admin on Sat Dec 16 08:45:02 GMT 2023 , Edited by admin on Sat Dec 16 08:45:02 GMT 2023
PRIMARY