Oxymethothepin butyrate di(hydrogen maleate) structure

Oxymethothepin butyrate di(hydrogen maleate)

bis((Z)-but-2-enedioic acid);3-[4-(3-methoxy-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]propyl butanoate

Also Known As: Oxymethothepin butyrate di(hydrogen maleate)|8-Methoxy-10-(4-(3-butyryloxypropyl)piperazino)-10,11-dihydrodibenzo(b,f)thiepin dimaleate|Butanoic acid, 3-(4-(10,11-dihydro-8-methoxydibenzo(b,f)thiepin-10-yl)-1-piperazinyl)propyl ester, (Z)-2-butenedioate (1:2)|(Z)-but-2-enedioic acid; 3-[4-(3-methoxy-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]propyl butanoate

CAS: 34182-89-3
Molecular Formula C34H42N2O11S
Molecular Weight 686.2509 g/mol
LogP 4.2182
Topological Polar Surface Area 191.21 Ų
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 10
Rotatable Bonds 12
Exact Mass 686.2509
Monoisotopic Mass 686.2509
Heavy Atoms 48
Complexity 1386.3126

Chemical Identifiers

CAS Number 34182-89-3
SMILES CCCC(=O)OCCCN1CCN(CC1)C2C3=C(SC4=CC=CC=C4C2)C=CC(=C3)OC.C(=C\C(=O)O)\C(=O)O.C(=C\C(=O)O)\C(=O)O

Product Overview

Oxymethothepin butyrate di(hydrogen maleate) (CAS 34182-89-3), with molecular formula C34H42N2O11S and molecular weight 686.2509 g/mol. IUPAC: bis((Z)-but-2-enedioic acid);3-[4-(3-methoxy-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]propyl butanoate.

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