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

Details

Stereochemistry ACHIRAL
Molecular Formula C14H12O3
Molecular Weight 228.2433
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DESNITROTOLCAPONE

SMILES

CC1=CC=C(C=C1)C(=O)C2=CC(O)=C(O)C=C2

InChI

InChIKey=YNUSEKORCRKLMQ-UHFFFAOYSA-N
InChI=1S/C14H12O3/c1-9-2-4-10(5-3-9)14(17)11-6-7-12(15)13(16)8-11/h2-8,15-16H,1H3

HIDE SMILES / InChI

Approval Year

Name Type Language
DESNITROTOLCAPONE
Common Name English
TOLCAPONE RELATED COMPOUND A [USP-RS]
Common Name English
(3,4-DIHYDROXYPHENYL)(4-TOLYL)METHANONE
Systematic Name English
TOLCAPONE RELATED COMPOUND A [USP IMPURITY]
Common Name English
DESNITROTOLCAPONE [USP IMPURITY]
Common Name English
Code System Code Type Description
PUBCHEM
23509269
Created by admin on Sat Dec 16 18:55:20 GMT 2023 , Edited by admin on Sat Dec 16 18:55:20 GMT 2023
PRIMARY
FDA UNII
8FMM5H1WHV
Created by admin on Sat Dec 16 18:55:20 GMT 2023 , Edited by admin on Sat Dec 16 18:55:20 GMT 2023
PRIMARY
RS_ITEM_NUM
1670218
Created by admin on Sat Dec 16 18:55:20 GMT 2023 , Edited by admin on Sat Dec 16 18:55:20 GMT 2023
PRIMARY
CAS
1391053-03-4
Created by admin on Sat Dec 16 18:55:20 GMT 2023 , Edited by admin on Sat Dec 16 18:55:20 GMT 2023
PRIMARY