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Desmethylazelastine

CAT: 0931-T74583-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-T74583-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
47491-38-3
Target
Others, Drug Metabolite
Related Pathways
Others, Metabolism
Bioactivity
Desmethylazelastine, the primary active metabolite of Azelastine, undergoes oxidative metabolism via the cytochrome P450 enzyme system, exhibits a 97% protein binding rate, and has an elimination half-life of 54 hours. Azelastine, an orally active, selective, and high-affinity histamine H1-receptor antagonist, is utilized in the research of allergic rhinitis, asthma, diabetic hyperlipidemia, and SARS-CoV-2 [1] [2] [3] [4] [5].
Smiles
Clc1ccc(Cc2nn(C3CCCNCC3)c(=O)c3ccccc23)cc1
Molecular Formula
C21H22ClN3O
Molecular Weight
367.87
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Desmethylazelastine

Desmethylazelastine is a member of phthalazines.

CAS Number47491-38-3
PubChem CID162558
IUPAC Name2-(azepan-4-yl)-4-[(4-chlorophenyl)methyl]phthalazin-1-one
Molecular FormulaC21H22ClN3O
Molecular Weight367.9
XLogP3.9
Topological Polar Surface Area44.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count26
Formal Charge0
Complexity529
SMILES
C1CC(CCNC1)N2C(=O)C3=CC=CC=C3C(=N2)CC4=CC=C(C=C4)Cl
InChI
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
InChIKey
WRYCMIFVXDQIKN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Desmethylazelastine
CAS: 47491-38-3
CID: 162558
Formula: C21H22ClN3O
MW: 367.9
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight367.9
XLogP33.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass367.1451400
Monoisotopic Mass367.1451400
Topological Polar Surface Area44.7 Ų
Heavy Atom Count26
Formal Charge0
Complexity529
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
HY-147336-01Desmethylazelastine

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