Zotepine impurity 6

2-[(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)oxy]ethyl-dimethylazanium;(Z)-4-hydroxy-4-oxobut-2-enoate

Also Known As: Zotepine impurity 6|5-Chloro-1-ethoxy-1,2,3-benzotriazol|Ethylamine, 2-((8-chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)oxy)-N,N-dimethyl-, maleate (1:1)|2-((8-Chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)oxy)-N,N-dimethylethylamine maleate|8-Chloro-10-(2-dimethylaminoethoxy)-10,11-dihydrodibenzo(b,f)thiepin hydrogen maleate|[2-(8-Chloro-10,11-dihydro-dibenzo[b,f]thiepin-10-yloxy)-ethyl]-dimethyl-amine; compound with (Z)-but-2-enedioic acid|2-[(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)oxy]ethyl-dimethylazanium; (Z)-4-hydroxy-4-oxobut-2-enoate|Ethylamine, 2-[(8-chloro-10,11-dihydrodibenzo[b,f]thiepin-10-yl)oxy]-N,N-dimethyl-, maleate (1:1)|Ethylamine,2-((8-chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)oxy)-N,N-dimethyl-,maleate(1:1)

Molecular Formula	C22H24ClNO5S
Molecular Weight	449.10638 g/mol
LogP	1.6266
Topological Polar Surface Area	91.1 Ų
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	5
Rotatable Bonds	6
Exact Mass	449.10638
Monoisotopic Mass	449.10638
Heavy Atoms	30
Complexity	900.15094

Chemical Identifiers

CAS Number	6823-52-5
SMILES	C[NH+](C)CCOC1CC2=CC=CC=C2SC3=C1C=C(C=C3)Cl.C(=C\C(=O)[O-])\C(=O)O