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

Details

Stereochemistry ACHIRAL
Molecular Formula C10H13N3O2
Molecular Weight 207.2291
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Methyl 3-guanidino-4-methylbenzoate

SMILES

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

InChI

InChIKey=KUPZXJAHIUUBLH-UHFFFAOYSA-N
InChI=1S/C10H13N3O2/c1-6-3-4-7(9(14)15-2)5-8(6)13-10(11)12/h3-5H,1-2H3,(H4,11,12,13)

HIDE SMILES / InChI

Approval Year

Unknown
149124
Name Type Language
Methyl 3-guanidino-4-methylbenzoate
Common Name English
Methyl 3-[(aminoiminomethyl)amino]-4-methylbenzoate
Preferred Name English
Code System Code Type Description
FDA UNII
P7XMG74XRU
Created by admin on Wed Apr 02 16:03:50 GMT 2025 , Edited by admin on Wed Apr 02 16:03:50 GMT 2025
PRIMARY
CAS
1025716-98-6
Created by admin on Wed Apr 02 16:03:50 GMT 2025 , Edited by admin on Wed Apr 02 16:03:50 GMT 2025
PRIMARY
PUBCHEM
46863881
Created by admin on Wed Apr 02 16:03:50 GMT 2025 , Edited by admin on Wed Apr 02 16:03:50 GMT 2025
PRIMARY
NIH
NCATS
PRIVACY NOTICE
ACCESSIBILITY
DISCLAIMER
HHS VULNERABILITY DISCLOSURE
For language access assistance, contact the NCATS Public Information Officer
National Center for Advancing Translational Sciences (NCATS),
6701 Democracy Boulevard, Bethesda MD 20892-4874 • 301-594-8966