DESMETHYLAZELASTINE

Details

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

SHOW SMILES / InChI

Structure Search

SMILES

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

InChI

InChIKey=WRYCMIFVXDQIKN-UHFFFAOYSA-N

InChI=1S/C21H22ClN3O/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

HIDE SMILES / InChI

Molecular Formula	C21H22ClN3O
Molecular Weight	367.872
Charge	0
Count

Stereochemistry	RACEMIC
Additional Stereochemistry	No
Defined Stereocenters	0 / 1
E/Z Centers	0
Optical Activity	( + / - )

Approval Year

PubMed

Title	Date	PubMed
Inhibitory effects of CYP3A4 substrates and their metabolites on P-glycoprotein-mediated transport.	2001-02	11231118

Substance Class	Chemical Created by `admin` on `Mon Mar 31 23:35:33 GMT 2025` Edited by `admin` on `Mon Mar 31 23:35:33 GMT 2025`
Record UNII	8W9SOB28Q4
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

DESMETHYLAZELASTINE

Common Name

English

DEMETHYLAZELASTINE

Preferred Name

English

1(2H)-PHTHALAZINONE, 4-((4-CHLOROPHENYL)METHYL)-2-(HEXAHYDRO-1H-AZEPIN-4-YL)-

Systematic Name

English

N-DESMETHYLAZELASTINE

Common Name

English

Code System Code Type Description

PUBCHEM

162558

Created by admin on Mon Mar 31 23:35:33 GMT 2025 , Edited by admin on Mon Mar 31 23:35:33 GMT 2025

PRIMARY

FDA UNII

8W9SOB28Q4

Created by admin on Mon Mar 31 23:35:33 GMT 2025 , Edited by admin on Mon Mar 31 23:35:33 GMT 2025

PRIMARY

EPA CompTox

DTXSID10963859

Created by admin on Mon Mar 31 23:35:33 GMT 2025 , Edited by admin on Mon Mar 31 23:35:33 GMT 2025

PRIMARY

CAS

47491-38-3

Created by admin on Mon Mar 31 23:35:33 GMT 2025 , Edited by admin on Mon Mar 31 23:35:33 GMT 2025

PRIMARY

Related Record Type Details


					7Z7OL24FMT

DESMETHYLAZELASTINE HYDROBROMIDE

SALT/SOLVATE -> PARENT

Related Record Type Details


					ZQI909440X

AZELASTINE

PARENT -> METABOLITE ACTIVE

Comments:

Desmethylazelastine, by the cytochrome P450 enzyme system. The specific P450 isoforms responsible for the biotransformation of azelastine have not been identified

Name	Property Type	Amount	Referenced Substance	Defining	Parameters	References
Biological Half-life	PHARMACOKINETIC

Tmax	PHARMACOKINETIC