CHEBI:31862 - Monatepil maleate

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ChEBI Name Monatepil maleate
ChEBI ID CHEBI:31862
Stars This entity has been manually annotated by a third party.
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Formulae C28H30FN3OS.C4H4O4
C32H34FN3O5S
Net Charge 0
Average Mass 591.695
Monoisotopic Mass 591.22032
InChI InChI=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-
InChIKey ZDZXCYHMVFLGMT-BTJKTKAUSA-N
SMILES C1(C2=C(CSC3=C1C=CC=C3)C=CC=C2)NC(=O)CCCN4CCN(CC4)C5=CC=C(C=C5)F.C(/C=C\C(O)=O)(O)=O
ChEBI Ontology
Outgoing Monatepil maleate (CHEBI:31862) is a dibenzothiepine (CHEBI:38924)
Synonym Source
Monatepil maleate KEGG COMPOUND
Manual Xref Database
D01171 KEGG DRUG
View more database links
Registry Number Type Source
132046-06-1 CAS Registry Number KEGG COMPOUND
Last Modified
06 March 2017