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Azelastine Hydrochloride

CAT: 0572-TRC-A808250-50MGSize: 50 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-A808250-50MGSize:50 mg
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CAS Number
79307-93-0
Synonyms
1(2H)-Phthalazinone, 4-[(4-chlorophenyl)methyl]-2-(hexahydro-1-methyl-1H-azepin-4-yl)-, hydrochloride (1:1); 1(2H)-Phthalazinone, 4-[(4-chlorophenyl)methyl]-2-(hexahydro-1-methyl-1H-azepin-4-yl)-, monohydrochloride (9CI); A 5610; Allergodil; Astelin; Astepro; Azelast; Azelastine hydrochloride; Azeptin; E 0659; Optivar; Rhinolast; W 2979M; Zalastine
Hazard Statement
Harmful if swallowed
Purity
>95% (HPLC)
Smiles
Cl.CN1CCCC(CC1)N2N=C(Cc3ccc(Cl)cc3)c4ccccc4C2=O
Molecular Formula
C22 H24 Cl N3 O . Cl H
Molecular Weight
418.36
InChI
InChI=1S/C22H24ClN3O.ClH/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;1H
Additionnal Information
IUPAC name: 4-[(4-chlorophenyl)methyl]-2-(1-methylazepan-4-yl)phthalazin-1-one;hydrochloride
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

Azelastine Hydrochloride

Azelastine hydrochloride is the hydrochloride salt of azelastine. 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 contains an azelastine.

CAS Number79307-93-0
PubChem CID54360
IUPAC Name4-[(4-chlorophenyl)methyl]-2-(1-methylazepan-4-yl)phthalazin-1-one;hydrochloride
Molecular FormulaC22H25Cl2N3O
Molecular Weight418.4
Topological Polar Surface Area35.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count28
Formal Charge0
Complexity558
SMILES
CN1CCCC(CC1)N2C(=O)C3=CC=CC=C3C(=N2)CC4=CC=C(C=C4)Cl.Cl
InChI
InChI=1S/C22H24ClN3O.ClH/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;1H
InChIKey
YEJAJYAHJQIWNU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Azelastine Hydrochloride
CAS: 79307-93-0
CID: 54360
Formula: C22H25Cl2N3O
MW: 418.4
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight418.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass417.1374678
Monoisotopic Mass417.1374678
Topological Polar Surface Area35.9 Ų
Heavy Atom Count28
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 Count2
Compound Is CanonicalizedYes