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Details

Stereochemistry ACHIRAL
Molecular Formula C22H20BrN5O2.ClH
Molecular Weight 502.791
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of JI-101 HYDROCHLORIDE

SMILES

Cl.COC1=CC=C(Br)C=C1NC(=O)NC2=CC=CC3=C2C=CN3CC4=CC=NC(N)=C4

InChI

InChIKey=WWUKDILHPZKGIL-UHFFFAOYSA-N
InChI=1S/C22H20BrN5O2.ClH/c1-30-20-6-5-15(23)12-18(20)27-22(29)26-17-3-2-4-19-16(17)8-10-28(19)13-14-7-9-25-21(24)11-14;/h2-12H,13H2,1H3,(H2,24,25)(H2,26,27,29);1H

HIDE SMILES / InChI

Approval Year

Name Type Language
JI-101 HYDROCHLORIDE
Code English
CGI-1842 HYDROCHLORIDE
Code English
Code System Code Type Description
PUBCHEM
44472553
Created by admin on Fri Dec 15 17:34:52 UTC 2023 , Edited by admin on Fri Dec 15 17:34:52 UTC 2023
PRIMARY
CAS
1441001-34-8
Created by admin on Fri Dec 15 17:34:52 UTC 2023 , Edited by admin on Fri Dec 15 17:34:52 UTC 2023
NON-SPECIFIC STOICHIOMETRY
FDA UNII
7FM1I0S6F4
Created by admin on Fri Dec 15 17:34:52 UTC 2023 , Edited by admin on Fri Dec 15 17:34:52 UTC 2023
PRIMARY