Zotepine impurity 11 structure

Zotepine impurity 11

(Z)-but-2-enedioic acid;2-[(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)oxy]-N,N-dimethylethanamine

Also Known As: Zotepine impurity 11|2-((2-Chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)oxy)-N,N-dimethylethylamine maleate|Ethylamine, 2-((2-chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)oxy)-N,N-dimethyl-, maleate (1:1)|(Z)-but-2-enedioic acid; 2-[(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)oxy]-N,N-dimethylethanamine

CAS: 4789-54-2
Molecular Formula C22H24ClNO5S
Molecular Weight 449.10638 g/mol
LogP 4.3784
Topological Polar Surface Area 87.07 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 4789-54-2
SMILES CN(C)CCOC1CC2=C(C=CC(=C2)Cl)SC3=CC=CC=C13.C(=C\C(=O)O)\C(=O)O

Product Overview

Zotepine impurity 11 (CAS 4789-54-2), with molecular formula C22H24ClNO5S and molecular weight 449.10638 g/mol. IUPAC: (Z)-but-2-enedioic acid;2-[(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)oxy]-N,N-dimethylethanamine.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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