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

Details

Stereochemistry ABSOLUTE
Molecular Formula C18H16O3
Molecular Weight 280.3178
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PHENPROCOUMON, (S)-

SMILES

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

InChI

InChIKey=DQDAYGNAKTZFIW-ZDUSSCGKSA-N
InChI=1S/C18H16O3/c1-2-13(12-8-4-3-5-9-12)16-17(19)14-10-6-7-11-15(14)21-18(16)20/h3-11,13,19H,2H2,1H3/t13-/m0/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
PHENPROCOUMON, (S)-
Common Name English
(-)-PHENPROCOUMON
Common Name English
2H-1-BENZOPYRAN-2-ONE, 4-HYDROXY-3-((1S)-1-PHENYLPROPYL)-
Systematic Name English
S-(-)-PHENPROCOUMON
Common Name English
2H-1-BENZOPYRAN-2-ONE, 4-HYDROXY-3-(1-PHENYLPROPYL)-, (S)-
Common Name English
COUMARIN, 3-(.ALPHA.-ETHYLBENZYL)-4-HYDROXY-, S-(-)-
Common Name English
(S)-PHENPROCOUMON
Common Name English
Code System Code Type Description
EPA CompTox
DTXSID20191141
Created by admin on Sat Dec 16 11:31:02 GMT 2023 , Edited by admin on Sat Dec 16 11:31:02 GMT 2023
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FDA UNII
3DM685514V
Created by admin on Sat Dec 16 11:31:02 GMT 2023 , Edited by admin on Sat Dec 16 11:31:02 GMT 2023
PRIMARY
CAS
3770-63-6
Created by admin on Sat Dec 16 11:31:02 GMT 2023 , Edited by admin on Sat Dec 16 11:31:02 GMT 2023
PRIMARY
PUBCHEM
54681533
Created by admin on Sat Dec 16 11:31:02 GMT 2023 , Edited by admin on Sat Dec 16 11:31:02 GMT 2023
PRIMARY