JBI-802

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 Search

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

Molecular Formula	BrH
Molecular Weight	80.912
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Molecular Formula	C21H22N4O2
Molecular Weight	362.425
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	2 / 2
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 12:36:17 GMT 2025` Edited by `admin` on `Wed Apr 02 12:36:17 GMT 2025`
Record UNII	8GSV79C4QX
Record Status	`Validated (UNII)`
Record Version

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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

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