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

Details

Stereochemistry ACHIRAL
Molecular Formula C8H8N2O2
Molecular Weight 164.1613
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-(AMINOIMINOMETHYL)BENZOIC ACID

SMILES

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

InChI

InChIKey=WPNGNBVDEYRVGT-UHFFFAOYSA-N
InChI=1S/C8H8N2O2/c9-7(10)5-2-1-3-6(4-5)8(11)12/h1-4H,(H3,9,10)(H,11,12)

HIDE SMILES / InChI

Molecular Formula C8H8N2O2
Molecular Weight 164.1613
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 16:36:08 UTC 2023
Edited
by admin
on Sat Dec 16 16:36:08 UTC 2023
Record UNII
4HDD4R2AEW
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-(AMINOIMINOMETHYL)BENZOIC ACID
Systematic Name English
BENZOIC ACID, 3-(AMINOIMINOMETHYL)-
Systematic Name English
ATALUREN METABOLITE M2
Common Name English
3-CARBAMIMIDOYLBENZOIC ACID
Systematic Name English
Code System Code Type Description
CAS
52820-49-2
Created by admin on Sat Dec 16 16:36:08 UTC 2023 , Edited by admin on Sat Dec 16 16:36:08 UTC 2023
PRIMARY
FDA UNII
4HDD4R2AEW
Created by admin on Sat Dec 16 16:36:08 UTC 2023 , Edited by admin on Sat Dec 16 16:36:08 UTC 2023
PRIMARY
PUBCHEM
3676069
Created by admin on Sat Dec 16 16:36:08 UTC 2023 , Edited by admin on Sat Dec 16 16:36:08 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE
URINE
PARENT -> METABOLITE
FECAL