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(R)-Azelastine N-Oxide (Mixture of Diastereomers)

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For Research Use Only | Not For Clinical Use
CATAPS1346617182
CAS1346617-18-2
Synonyms4-[(4-Chlorophenyl)methyl]-2-[(4R)-hexahydro-1-methyl-1-oxido-1H-azepin-4-yl]-1(2H)-phthalazinone, (R)-Azelastine N-Oxide
IUPAC Name4-[(4-chlorophenyl)methyl]-2-[(4R)-1-methyl-1-oxidoazepan-1-ium-4-yl]phthalazin-1-one
Molecular Weight397.90
Molecular FormulaC22H24ClN3O2
Canonical SMILESC[N+]1([O-])CCC[C@H](CC1)N2N=C(Cc3ccc(Cl)cc3)c4ccccc4C2=O
InChIInChI=1S/C22H24ClN3O2/c1-26(28)13-4-5-18(12-14-26)25-22(27)20-7-3-2-6-19(20)21(24-25)15-16-8-10-17(23)11-9-16/h2-3,6-11,18H,4-5,12-15H2,1H3/t18-,26?/m1/s1
Accurate Mass397.1557
FormatNeat
SubcategoryChiral molecules
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