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

Details

Stereochemistry ACHIRAL
Molecular Formula C21H14N2O4
Molecular Weight 358.3469
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Benzoic acid, 3-[(4-amino-9,10-dihydro-9,10-dioxo-1-anthracenyl)amino]-

SMILES

NC1=CC=C(NC2=CC(=CC=C2)C(O)=O)C3=C1C(=O)C4=C(C=CC=C4)C3=O

InChI

InChIKey=HWSFYZXHGYNGMS-UHFFFAOYSA-N
InChI=1S/C21H14N2O4/c22-15-8-9-16(23-12-5-3-4-11(10-12)21(26)27)18-17(15)19(24)13-6-1-2-7-14(13)20(18)25/h1-10,23H,22H2,(H,26,27)

HIDE SMILES / InChI

Molecular Formula C21H14N2O4
Molecular Weight 358.3469
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Tue Apr 01 17:44:53 GMT 2025
Edited
by admin
on Tue Apr 01 17:44:53 GMT 2025
Record UNII
M325TG8YZA
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-[(4-Amino-9,10-dihydro-9,10-dioxo-1-anthracenyl)amino]benzoic acid
Preferred Name English
Benzoic acid, 3-[(4-amino-9,10-dihydro-9,10-dioxo-1-anthracenyl)amino]-
Systematic Name English
Code System Code Type Description
PUBCHEM
94070
Created by admin on Tue Apr 01 17:44:53 GMT 2025 , Edited by admin on Tue Apr 01 17:44:53 GMT 2025
PRIMARY
EPA CompTox
DTXSID5069257
Created by admin on Tue Apr 01 17:44:53 GMT 2025 , Edited by admin on Tue Apr 01 17:44:53 GMT 2025
PRIMARY
CAS
58473-42-0
Created by admin on Tue Apr 01 17:44:53 GMT 2025 , Edited by admin on Tue Apr 01 17:44:53 GMT 2025
PRIMARY
FDA UNII
M325TG8YZA
Created by admin on Tue Apr 01 17:44:53 GMT 2025 , Edited by admin on Tue Apr 01 17:44:53 GMT 2025
PRIMARY
ECHA (EC/EINECS)
261-273-1
Created by admin on Tue Apr 01 17:44:53 GMT 2025 , Edited by admin on Tue Apr 01 17:44:53 GMT 2025
PRIMARY