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

Details

Stereochemistry RACEMIC
Molecular Formula C18H15Cl2N3O
Molecular Weight 360.237
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DUP-860 FREE BASE

SMILES

OC(CN1C=NC=N1)(C(=C)C2=C(Cl)C=CC=C2)C3=CC=C(Cl)C=C3

InChI

InChIKey=RNKZWLLOIOLSMA-UHFFFAOYSA-N
InChI=1S/C18H15Cl2N3O/c1-13(16-4-2-3-5-17(16)20)18(24,10-23-12-21-11-22-23)14-6-8-15(19)9-7-14/h2-9,11-12,24H,1,10H2

HIDE SMILES / InChI

Approval Year

Name Type Language
DUP-860 FREE BASE
Code English
1H-1,2,4-TRIAZOLE-1-ETHANOL, .ALPHA.-(4-CHLOROPHENYL)-.ALPHA.-(1-(2-CHLOROPHENYL)ETHENYL)-
Systematic Name English
.ALPHA.-(4-CHLOROPHENYL)-.ALPHA.-(1-(2-CHLOROPHENYL)ETHENYL)-1H-1,2,4-TRIAZOLE-1-ETHANOL
Systematic Name English
Code System Code Type Description
FDA UNII
R7PMZ5NM9V
Created by admin on Sat Dec 16 13:44:54 GMT 2023 , Edited by admin on Sat Dec 16 13:44:54 GMT 2023
PRIMARY
CAS
124669-21-2
Created by admin on Sat Dec 16 13:44:54 GMT 2023 , Edited by admin on Sat Dec 16 13:44:54 GMT 2023
PRIMARY
PUBCHEM
457160
Created by admin on Sat Dec 16 13:44:54 GMT 2023 , Edited by admin on Sat Dec 16 13:44:54 GMT 2023
PRIMARY