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Details

Stereochemistry RACEMIC
Molecular Formula C21H22ClN3O
Molecular Weight 367.8726
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DESMETHYLAZELASTINE

SMILES

c1ccc2c(c1)c(Cc3ccc(cc3)Cl)nn(C4CCCNCC4)c2=O

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 367.8726
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

PubMed

PubMed

TitleDatePubMed
Substance Class Chemical
Created
by admin
on Sat Jun 26 00:38:01 UTC 2021
Edited
by admin
on Sat Jun 26 00:38:01 UTC 2021
Record UNII
8W9SOB28Q4
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
DESMETHYLAZELASTINE
Common Name English
1(2H)-PHTHALAZINONE, 4-((4-CHLOROPHENYL)METHYL)-2-(HEXAHYDRO-1H-AZEPIN-4-YL)-
Systematic Name English
N-DESMETHYLAZELASTINE
Common Name English
DEMETHYLAZELASTINE
Common Name English
Code System Code Type Description
PUBCHEM
162558
Created by admin on Sat Jun 26 00:38:01 UTC 2021 , Edited by admin on Sat Jun 26 00:38:01 UTC 2021
PRIMARY
FDA UNII
8W9SOB28Q4
Created by admin on Sat Jun 26 00:38:01 UTC 2021 , Edited by admin on Sat Jun 26 00:38:01 UTC 2021
PRIMARY
CAS
47491-38-3
Created by admin on Sat Jun 26 00:38:01 UTC 2021 , Edited by admin on Sat Jun 26 00:38:01 UTC 2021
PRIMARY
Related Record Type Details
SALT/SOLVATE -> PARENT
Related Record Type Details
PARENT -> METABOLITE ACTIVE
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