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

Details

Stereochemistry ACHIRAL
Molecular Formula C11H15N3O2.ClH
Molecular Weight 257.717
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-[(Aminoiminomethyl)amino]-4-methylbenzoic acid ethyl ester hydrochloride

SMILES

Cl.CCOC(=O)C1=CC(NC(N)=N)=C(C)C=C1

InChI

InChIKey=UENDHRKPPQVGCW-UHFFFAOYSA-N
InChI=1S/C11H15N3O2.ClH/c1-3-16-10(15)8-5-4-7(2)9(6-8)14-11(12)13;/h4-6H,3H2,1-2H3,(H4,12,13,14);1H

HIDE SMILES / InChI

Molecular Formula C11H15N3O2
Molecular Weight 221.2557
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula ClH
Molecular Weight 36.461
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 20:21:17 GMT 2025
Edited
by admin
on Wed Apr 02 20:21:17 GMT 2025
Record UNII
8CGB6Y556V
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-[(Aminoiminomethyl)amino]-4-methylbenzoic acid ethyl ester hydrochloride
Systematic Name English
Benzoic acid, 3-[(aminoiminomethyl)amino]-4-methyl-, ethyl ester, hydrochloride (1:1)
Preferred Name English
Code System Code Type Description
CAS
2640339-40-6
Created by admin on Wed Apr 02 20:21:17 GMT 2025 , Edited by admin on Wed Apr 02 20:21:17 GMT 2025
PRIMARY
FDA UNII
8CGB6Y556V
Created by admin on Wed Apr 02 20:21:17 GMT 2025 , Edited by admin on Wed Apr 02 20:21:17 GMT 2025
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE