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CHEBI:31862 - Monatepil maleate

ChEBI IDCHEBI:31862
ChEBI NameMonatepil maleate
Stars
Last Modified6 March 2017
DownloadsMolfile
FormulaC28H30FN3OS.C4H4O4
Net Charge0
Average Mass591.705
Monoisotopic Mass591.22032
SMILESO=C(CCCN1CCN(c2ccc(F)cc2)CC1)NC1c2ccccc2CSc2ccccc21.O=C(O)/C=C\C(=O)O
InChIInChI=1S/C28H30FN3OS.C4H4O4/c29-22-11-13-23(14-12-22)32-18-16-31(17-19-32)15-5-10-27(33)30-28-24-7-2-1-6-21(24)20-34-26-9-4-3-8-25(26)28;5-3(6)1-2-4(7)8/h1-4,6-9,11-14,28H,5,10,15-20H2,(H,30,33);1-2H,(H,5,6)(H,7,8)/b;2-1-
InChIKeyZDZXCYHMVFLGMT-BTJKTKAUSA-N
ChEBI Ontology
Outgoing Relation(s)
Monatepil maleate (CHEBI:31862) is a dibenzothiepine (CHEBI:38924)
Synonym  Source
Monatepil maleateKEGG COMPOUND
Manual XrefsDatabases
D01171KEGG DRUG
Registry NumbersSources
CAS:132046-06-1KEGG COMPOUND