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, (R)-

SMILES

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

InChI

InChIKey=DQDAYGNAKTZFIW-CYBMUJFWSA-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-/m1/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
PHENPROCOUMON, (R)-
Common Name English
2H-1-BENZOPYRAN-2-ONE, 4-HYDROXY-3-(1-PHENYLPROPYL)-, (R)-
Common Name English
(+)-PHENPROCOUMON
Common Name English
(R)-PHENPROCOUMON
Common Name English
COUMARIN, 3-(.ALPHA.-ETHYLBENZYL)-4-HYDROXY-, (R)-(+)-
Common Name English
2H-1-BENZOPYRAN-2-ONE, 4-HYDROXY-3-((1R)-1-PHENYLPROPYL)-
Systematic Name English
(R)-(+)-PHENPROCOUMON
Common Name English
Code System Code Type Description
FDA UNII
Y513Q74WCG
Created by admin on Sat Dec 16 11:31:01 GMT 2023 , Edited by admin on Sat Dec 16 11:31:01 GMT 2023
PRIMARY
CAS
5999-27-9
Created by admin on Sat Dec 16 11:31:01 GMT 2023 , Edited by admin on Sat Dec 16 11:31:01 GMT 2023
PRIMARY
EPA CompTox
DTXSID80975409
Created by admin on Sat Dec 16 11:31:01 GMT 2023 , Edited by admin on Sat Dec 16 11:31:01 GMT 2023
PRIMARY
PUBCHEM
54681545
Created by admin on Sat Dec 16 11:31:01 GMT 2023 , Edited by admin on Sat Dec 16 11:31:01 GMT 2023
PRIMARY