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

Details

Stereochemistry ACHIRAL
Molecular Formula C7H8N2O3
Molecular Weight 168.15
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3,5-DIAMINO-2-HYDROXYBENZOIC ACID

SMILES

NC1=CC(N)=C(O)C(=C1)C(O)=O

InChI

InChIKey=HQURVGSRQBOZEX-UHFFFAOYSA-N
InChI=1S/C7H8N2O3/c8-3-1-4(7(11)12)6(10)5(9)2-3/h1-2,10H,8-9H2,(H,11,12)

HIDE SMILES / InChI

Molecular Formula C7H8N2O3
Molecular Weight 168.15
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 Sat Dec 16 15:42:30 GMT 2023
Edited
by admin
on Sat Dec 16 15:42:30 GMT 2023
Record UNII
J0W94NS4S3
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3,5-DIAMINO-2-HYDROXYBENZOIC ACID
Systematic Name English
3,5-DIAMINOSALICYLIC ACID
Common Name English
3,5-DIAMINOSALICYLIC ACID [EP IMPURITY]
Common Name English
MESALAZINE IMPURITY J [EP IMPURITY]
Common Name English
BENZOIC ACID, 3,5-DIAMINO-2-HYDROXY-
Systematic Name English
Code System Code Type Description
FDA UNII
J0W94NS4S3
Created by admin on Sat Dec 16 15:42:30 GMT 2023 , Edited by admin on Sat Dec 16 15:42:30 GMT 2023
PRIMARY
EPA CompTox
DTXSID90578304
Created by admin on Sat Dec 16 15:42:30 GMT 2023 , Edited by admin on Sat Dec 16 15:42:30 GMT 2023
PRIMARY
PUBCHEM
15788080
Created by admin on Sat Dec 16 15:42:30 GMT 2023 , Edited by admin on Sat Dec 16 15:42:30 GMT 2023
PRIMARY
CAS
112725-89-0
Created by admin on Sat Dec 16 15:42:30 GMT 2023 , Edited by admin on Sat Dec 16 15:42:30 GMT 2023
PRIMARY
Related Record Type Details
SALT/SOLVATE -> PARENT
Related Record Type Details
PARENT -> IMPURITY
Correction factors: for the calculation of contents, multiply the peak areas by 2.0
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP