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Desmethylazelastine
[CAS# 47491-38-3]

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Identification
Name Desmethylazelastine
Synonyms 2-(4-Azepanyl)-4-[(4-Chlorophenyl)Methyl]-1-Phthalazinone; 2-(Azepan-4-Yl)-4-(4-Chlorobenzyl)Phthalazin-1-One; 1(2H)-Phthalazinone, 4-((4-Chlorophenyl)Methyl)-2-(Hexahydro-1H-Azepin-4-Yl)-
Molecular Structure CAS#: 47491-38-3, Desmethylazelastine
Molecular Formula C21H22ClN3O
Molecular Weight 367.88
CAS Registry Number 47491-38-3
SMILES C1=CC=CC2=C1C(=O)N(N=C2CC3=CC=C(Cl)C=C3)C4CCNCCC4
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
Properties
Density 1.299g/cm3 (Cal.)
Boiling point 544.064°C at 760 mmHg (Cal.)
Flash point 282.84°C (Cal.)
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