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

Details

Stereochemistry ACHIRAL
Molecular Formula C7H6O3.C6H6N2O
Molecular Weight 260.2454
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of NIACINAMIDE 3-HYDROXYBENZOATE

SMILES

NC(=O)C1=CN=CC=C1.OC(=O)C2=CC=CC(O)=C2

InChI

InChIKey=LFILFODTGBGRKP-UHFFFAOYSA-N
InChI=1S/C7H6O3.C6H6N2O/c8-6-3-1-2-5(4-6)7(9)10;7-6(9)5-2-1-3-8-4-5/h1-4,8H,(H,9,10);1-4H,(H2,7,9)

HIDE SMILES / InChI

Approval Year

Name Type Language
NIACINAMIDE 3-HYDROXYBENZOATE
Common Name English
BENZOIC ACID, 3-HYDROXY-, COMPD. WITH 3-PYRIDINECARBOXAMIDE (1:1)
Systematic Name English
NIACINAMIDE M-HYDROXYBENZOATE
Common Name English
Code System Code Type Description
FDA UNII
NA9IYH5O95
Created by admin on Sat Dec 16 10:14:09 GMT 2023 , Edited by admin on Sat Dec 16 10:14:09 GMT 2023
PRIMARY
CAS
869385-64-8
Created by admin on Sat Dec 16 10:14:09 GMT 2023 , Edited by admin on Sat Dec 16 10:14:09 GMT 2023
PRIMARY
PUBCHEM
86081279
Created by admin on Sat Dec 16 10:14:09 GMT 2023 , Edited by admin on Sat Dec 16 10:14:09 GMT 2023
PRIMARY