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

Details

Stereochemistry ACHIRAL
Molecular Formula C12H12N6.C2H4O2
Molecular Weight 300.3158
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of AR-08 acetate

SMILES

CC(O)=O.CC1=C(NC2=NCCN2)C=C(C#N)C3=C1NC=N3

InChI

InChIKey=PHBLJFKGZMOGFS-UHFFFAOYSA-N
InChI=1S/C12H12N6.C2H4O2/c1-7-9(18-12-14-2-3-15-12)4-8(5-13)11-10(7)16-6-17-11;1-2(3)4/h4,6H,2-3H2,1H3,(H,16,17)(H2,14,15,18);1H3,(H,3,4)

HIDE SMILES / InChI

Approval Year

Name Type Language
AR-08 acetate
Common Name English
1H-Benzimidazole-4-carbonitrile, 6-[(4,5-dihydro-1H-imidazol-2-yl)amino]-7-methyl-, monoacetate
Preferred Name English
1H-Benzimidazole-7-carbonitrile, 5-[(4,5-dihydro-1H-imidazol-2-yl)amino]-4-methyl-, acetate (1:1)
Systematic Name English
6-[(4,5-Dihydro-1H-imidazol-2-yl)amino]-7-methyl-1H-benzimidazole-4-carbonitrile acetate
Systematic Name English
Code System Code Type Description
FDA UNII
1EDK3CAY76
Created by admin on Mon Mar 31 18:27:22 GMT 2025 , Edited by admin on Mon Mar 31 18:27:22 GMT 2025
PRIMARY
CAS
745048-53-7
Created by admin on Mon Mar 31 18:27:22 GMT 2025 , Edited by admin on Mon Mar 31 18:27:22 GMT 2025
PRIMARY
PUBCHEM
11507693
Created by admin on Mon Mar 31 18:27:22 GMT 2025 , Edited by admin on Mon Mar 31 18:27:22 GMT 2025
PRIMARY