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Details

Stereochemistry RACEMIC
Molecular Formula C21H22ClN3O.BrH
Molecular Weight 448.784
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DESMETHYLAZELASTINE HYDROBROMIDE

SMILES

Br.ClC1=CC=C(CC2=NN(C3CCCNCC3)C(=O)C4=C2C=CC=C4)C=C1

InChI

InChIKey=FZJYRHRUFUUOMN-UHFFFAOYSA-N
InChI=1S/C21H22ClN3O.BrH/c22-16-9-7-15(8-10-16)14-20-18-5-1-2-6-19(18)21(26)25(24-20)17-4-3-12-23-13-11-17;/h1-2,5-10,17,23H,3-4,11-14H2;1H

HIDE SMILES / InChI

Molecular Formula BrH
Molecular Weight 80.912
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C21H22ClN3O
Molecular Weight 367.872
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

PubMed

PubMed

TitleDatePubMed
Inhibitory effects of CYP3A4 substrates and their metabolites on P-glycoprotein-mediated transport.
2001 Feb
Substance Class Chemical
Created
by admin
on Tue Oct 22 12:35:26 UTC 2019
Edited
by admin
on Tue Oct 22 12:35:26 UTC 2019
Record UNII
7Z7OL24FMT
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
DESMETHYLAZELASTINE HYDROBROMIDE
Common Name English
1(2H)-PHTHALAZINONE, 4-((4-CHLOROPHENYL)METHYL)-2-(HEXAHYDRO-1H-AZEPIN-4-YL)-, HYDROBROMIDE (1:1)
Systematic Name English
Code System Code Type Description
CAS
103541-66-8
Created by admin on Tue Oct 22 12:35:26 UTC 2019 , Edited by admin on Tue Oct 22 12:35:26 UTC 2019
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE