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

Details

Stereochemistry ABSOLUTE
Molecular Formula C21H22N4O2.BrH
Molecular Weight 443.337
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of JBI-802

SMILES

Br.ONC(=O)C1=CC=C(CN2C=C(CN[C@@H]3C[C@H]3C4=CC=CC=C4)C=N2)C=C1

InChI

InChIKey=VYVGGNXALTUECS-CMXBXVFLSA-N
InChI=1S/C21H22N4O2.BrH/c26-21(24-27)18-8-6-15(7-9-18)13-25-14-16(12-23-25)11-22-20-10-19(20)17-4-2-1-3-5-17;/h1-9,12,14,19-20,22,27H,10-11,13H2,(H,24,26);1H/t19-,20+;/m0./s1

HIDE SMILES / InChI

Approval Year

Name Type Language
JBI-802
Code English
N-hydroxy-4-((4-((((1R,2S)-2-phenylcyclopropyl) amino)methyl)-1H-pyrazol-1-yl)methyl)benzamide hydrogen bromide
Preferred Name English
Classification Tree Code System Code
FDA ORPHAN DRUG 906522
Created by admin on Wed Apr 02 12:36:17 GMT 2025 , Edited by admin on Wed Apr 02 12:36:17 GMT 2025
FDA ORPHAN DRUG 916922
Created by admin on Wed Apr 02 12:36:17 GMT 2025 , Edited by admin on Wed Apr 02 12:36:17 GMT 2025
Code System Code Type Description
FDA UNII
8GSV79C4QX
Created by admin on Wed Apr 02 12:36:17 GMT 2025 , Edited by admin on Wed Apr 02 12:36:17 GMT 2025
PRIMARY
PUBCHEM
166177211
Created by admin on Wed Apr 02 12:36:17 GMT 2025 , Edited by admin on Wed Apr 02 12:36:17 GMT 2025
PRIMARY