3-[8-chloro-4-[3-(dimethylazaniumyl)propyl]-5-hydroxy-4-phenyl-2,3-dihydro-1-benzoxepin-5-yl]propyl-dimethylazanium;dichloride
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![3-[8-chloro-4-[3-(dimethylazaniumyl)propyl]-5-hydroxy-4-phenyl-2,3-dihydro-1-benzoxepin-5-yl]propyl-dimethylazanium;dichloride structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/a3b3b2533d6142cfac8f94f85b53e379.png "3-[8-chloro-4-[3-(dimethylazaniumyl)propyl]-5-hydroxy-4-phenyl-2,3-dihydro-1-benzoxepin-5-yl]propyl-dimethylazanium;dichloride")
3-[8-chloro-4-[3-(dimethylazaniumyl)propyl]-5-hydroxy-4-phenyl-2,3-dihydro-1-benzoxepin-5-yl]propyl-dimethylazanium;dichloride
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CAS No:
40400-49-5
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Formula:
C26H39Cl3N2O2
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Chemical Name:
3-[8-chloro-4-[3-(dimethylazaniumyl)propyl]-5-hydroxy-4-phenyl-2,3-dihydro-1-benzoxepin-5-yl]propyl-dimethylazanium;dichloride
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Synonyms:
40400-49-5;2,3,4,5-Tetrahydro-4,5-bis(3-(dimethylamino)propyl)-8-chloro-4-phenyl-1-benzoxepin-5-ol 2HCl;4-Phenyl-4,5-bis(3-dimethylaminopropyl)-8-chloro-2,3,4,5-tetrahydro-1-benzoxepin-5-ol 2HCl;1-Benzoxepin-5-ol, 2,3,4,5-tetrahydro-4,5-bis(3-(dimethylamino)propyl)-8-chloro-4-phenyl-, dihydrochloride
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CAS No:
3-[8-chloro-4-[3-(dimethylazaniumyl)propyl]-5-hydroxy-4-phenyl-2,3-dihydro-1-benzoxepin-5-yl]propyl-dimethylazanium;dichloride Basic Attributes
518.0 g/mol
516.207712 g/mol
Computed Properties
Molecular Weight:518.0
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:9
Exact Mass:516.207712
Monoisotopic Mass:516.207712
Topological Polar Surface Area:38.3
Heavy Atom Count:33
Complexity:540
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:3
Compound Is Canonicalized:Yes
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