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Details

Stereochemistry ACHIRAL
Molecular Formula C8H9N3O2
Molecular Weight 179.176
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-Guanidinobenzoic acid

SMILES

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

InChI

InChIKey=SXTSBZBQQRIYCU-UHFFFAOYSA-N
InChI=1S/C8H9N3O2/c9-8(10)11-6-3-1-5(2-4-6)7(12)13/h1-4H,(H,12,13)(H4,9,10,11)

HIDE SMILES / InChI

Molecular Formula C8H9N3O2
Molecular Weight 179.176
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 Wed Apr 02 05:36:27 GMT 2025
Edited
by admin
on Wed Apr 02 05:36:27 GMT 2025
Record UNII
XFP29CVC4Z
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
p-Guanidinobenzoic acid
Preferred Name English
4-Guanidinobenzoic acid
Common Name English
4-Carbamimidamidobenzoic acid
Systematic Name English
Benzoic acid, 4-[(aminoiminomethyl)amino]-
Systematic Name English
4-[(Aminoiminomethyl)amino]benzoic acid
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID90936349
Created by admin on Wed Apr 02 05:36:27 GMT 2025 , Edited by admin on Wed Apr 02 05:36:27 GMT 2025
PRIMARY
CHEBI
125204
Created by admin on Wed Apr 02 05:36:27 GMT 2025 , Edited by admin on Wed Apr 02 05:36:27 GMT 2025
PRIMARY
PUBCHEM
159772
Created by admin on Wed Apr 02 05:36:27 GMT 2025 , Edited by admin on Wed Apr 02 05:36:27 GMT 2025
PRIMARY
FDA UNII
XFP29CVC4Z
Created by admin on Wed Apr 02 05:36:27 GMT 2025 , Edited by admin on Wed Apr 02 05:36:27 GMT 2025
PRIMARY
CAS
16060-65-4
Created by admin on Wed Apr 02 05:36:27 GMT 2025 , Edited by admin on Wed Apr 02 05:36:27 GMT 2025
PRIMARY
Related Record Type Details
SALT/SOLVATE -> PARENT