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(R) -Azelastine hydrochloride

CAT: 0127-BUP23816-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0127-BUP23816-01Size:25 mg
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CAS Number
153408-28-7
Purity
≥98%
Smiles
C (C=1C=2C (C (=O) N (N1) [C@@H]3CCCN (C) CC3) =CC=CC2) C4=CC=C (Cl) C=C4.Cl

Chemical Information

(R)-Azelastine Hydrochloride
CAS Number153408-28-7
PubChem CID71313551
IUPAC Name4-[(4-chlorophenyl)methyl]-2-[(4R)-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
CN1CCC[C@H](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/t18-;/m1./s1
InChIKey
YEJAJYAHJQIWNU-GMUIIQOCSA-N
Chemical Structure
2D Structure
2D structure of (R)-Azelastine Hydrochloride
CAS: 153408-28-7
CID: 71313551
Formula: C22H25Cl2N3O
MW: 418.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
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 Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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