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Azelastine

CAT: 1596-AR-A04625-06Size: 250 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-A04625-06Size:250 Units
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CAS Number
58581-89-8
Synonyms
4-[ (4-Chlorophenyl) methyl]-2- (hexahydro-1-methyl-1H-azepin-4-yl) -1 (2H) -phthalazinone
Molecular Formula
C22H24ClN3O
Molecular Weight
381.90
API Name
Azelastine

Chemical Information

Azelastine

Azelastine is a phthalazine compound having an oxo substituent at the 1-position, a 1-methylazepan-4-yl group at the 2-position and a 4-chlorobenzyl substituent at the 4-position. It has a role as a bronchodilator agent, a H1-receptor antagonist, an anti-asthmatic drug, a platelet aggregation inhibitor, an anti-allergic agent and an EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor. It is a member of phthalazines, a tertiary amino compound and a member of monochlorobenzenes.

CAS Number58581-89-8
PubChem CID2267
IUPAC Name4-[(4-chlorophenyl)methyl]-2-(1-methylazepan-4-yl)phthalazin-1-one
Molecular FormulaC22H24ClN3O
Molecular Weight381.9
XLogP4.4
Topological Polar Surface Area35.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count27
Formal Charge0
Complexity558
SMILES
CN1CCCC(CC1)N2C(=O)C3=CC=CC=C3C(=N2)CC4=CC=C(C=C4)Cl
InChI
InChI=1S/C22H24ClN3O/c1-25-13-4-5-18(12-14-25)26-22(27)20-7-3-2-6-19(20)21(24-26)15-16-8-10-17(23)11-9-16/h2-3,6-11,18H,4-5,12-15H2,1H3
InChIKey
MBUVEWMHONZEQD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Azelastine
CAS: 58581-89-8
CID: 2267
Formula: C22H24ClN3O
MW: 381.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight381.9
XLogP34.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass381.1607901
Monoisotopic Mass381.1607901
Topological Polar Surface Area35.9 Ų
Heavy Atom Count27
Formal Charge0
Complexity558
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
TRC-A767410-100MGAzelastine
HY-W744206-01Azelastine-d3
CS-O-61747Azelastine-d6
HY-Z12728(R) -Azelastine
T0211L-01Azelastine hydrochloride

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