RefChem:227841

3-[8-chloro-4-[3-(dimethylazaniumyl)propyl]-5-hydroxy-4-phenyl-2,3-dihydro-1-benzoxepin-5-yl]propyl-dimethylazanium dichloride

Also Known As: AC1L1ZTN|RefChem:227841|1-Benzoxepin-5-ol, 2,3,4,5-tetrahydro-4,5-bis(3-(dimethylamino)propyl)-8-chloro-4-phenyl-, dihydrochloride|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|3-[8-Chloro-5-[3-(dimethylazaniumyl)propyl]-5-hydroxy-4-phenyl-2,3-dihydro-1-benzoxepin-4-yl]propyl-dimethylazanium dichloride|1-BENZOXEPIN-5-OL, 2,3,4,5-TETRAHYDRO-4,5-BIS(3-(DIMETHYLAMINO)PROPYL)-8-CHLORO-|3-[8-chloro-4-[3-(dimethylazaniumyl)propyl]-5-hydroxy-4-phenyl-2,3-dihydro-1-benzoxepin-5-yl]propyl-dimethylazanium dichloride

Molecular Formula	C26H39Cl3N2O2
Molecular Weight	516.2077 g/mol
LogP	-3.89
Topological Polar Surface Area	38.34 Ų
Hydrogen Bond Donors	3
Hydrogen Bond Acceptors	2
Rotatable Bonds	9
Exact Mass	516.2077
Heavy Atoms	33
Complexity	850.7

Chemical Identifiers

CAS Number	40400-49-5
SMILES	C[NH+](C)CCCC1(CCOC2=C(C1(CCC[NH+](C)C)O)C=CC(=C2)Cl)C3=CC=CC=C3.[Cl-].[Cl-]