Docloxythepin succinate structure

Docloxythepin succinate

butanedioic acid;2-[4-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)piperazin-1-yl]ethanol

Also Known As: Oxyclothepin succinate|Docloxythepin succinate|Dokloxythepin succinate|Dibenzo(b,f)thiepin, 1-piperazineethanol deriv.|Dibenzo(b,f)thiepin, 1-piperazineethanol deriv|2-Chloro-10-(4-(2-hydroxyethyl)piperazino)-10,11-dihydrodibenzo(b,f)thiepin succinate|4-(2-Chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-1-piperazineethanol succinate|Butanedioic acid, compd. with 4-(2-chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-1-piperazineethanol|Butanedioic acid--2-[4-(2-chloro-10,11-dihydrodibenzo[b,f]thiepin-10-yl)piperazin-1-yl]ethan-1-ol (1/1)|butanedioic acid; 2-[4-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)piperazin-1-yl]ethanol

CAS: 60003-04-5
Molecular Formula C24H29ClN2O5S
Molecular Weight 492.14856 g/mol
LogP 3.6341
Topological Polar Surface Area 127.0 Ų
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 8
Rotatable Bonds 6
Exact Mass 492.14856
Monoisotopic Mass 492.14856
Heavy Atoms 33
Complexity 525.0

Chemical Identifiers

CAS Number 60003-04-5
SMILES C1CN(CCN1CCO)C2CC3=C(C=CC(=C3)Cl)SC4=CC=CC=C24.C(CC(=O)O)C(=O)O
InChIKey SOQPXHXXLKYNBK-UHFFFAOYSA-N

Product Overview

Docloxythepin succinate (CAS 60003-04-5), with molecular formula C24H29ClN2O5S and molecular weight 492.14856 g/mol. IUPAC: butanedioic acid;2-[4-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)piperazin-1-yl]ethanol.

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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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