RefChem:1083349

3-[3-chloro-5-[3-(dimethylazaniumyl)propoxy]benzo[b][1]benzothiepin-6-yl]propyl-dimethylazanium;bis((Z)-4-hydroxy-4-oxobut-2-enoate)

Also Known As: Dibenzo(b,f)thiepin-10-propylamine, 2-chloro-N,N-dimethyl-11-(3-(dimethylamino)propoxy)-, maleate (1:2)|DIBENZO(b,f)THIEPIN-10-PROPYLAMINE, 2-CHLORO-N,N-DIMETHYL-11-(3-(DIMETHYLAMINO)P|3-[3-chloro-5-[3-(dimethylazaniumyl)propoxy]benzo[b][1]benzothiepin-6-yl]propyl-dimethylazanium; (Z)-4-hydroxy-4-oxobut-2-enoate

Molecular Formula	C32H39ClN2O9S
Molecular Weight	662.2065 g/mol
LogP	-0.097
Topological Polar Surface Area	172.97 Ų
Hydrogen Bond Donors	4
Hydrogen Bond Acceptors	8
Rotatable Bonds	13
Exact Mass	662.2065
Monoisotopic Mass	662.2065
Heavy Atoms	45
Complexity	1338.7612

Chemical Identifiers

CAS Number	31772-65-3
SMILES	C[NH+](CCCC1=C(C2=C(SC3=CC=CC=C13)C=CC(=C2)Cl)OCCC[NH+](C)C)C.C(=C\C(=O)[O-])\C(=O)O.C(=C\C(=O)[O-])\C(=O)O