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CHEBI:72302 - lomitapide(1+)

ChEBI IDCHEBI:72302
ChEBI Namelomitapide(1+)
Stars
DefinitionAn ammonium ion resulting from the protonation of the nitrogen of the tertiary amino group of lomitapide.
Last Modified24 May 2013
SubmitterSteve
DownloadsMolfile
FormulaC39H38F6N3O2
Net Charge+1
Average Mass694.740
Monoisotopic Mass694.28627
SMILESO=C(NC1CC[NH+](CCCCC2(C(=O)NCC(F)(F)F)c3ccccc3-c3ccccc32)CC1)c1ccccc1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C39H37F6N3O2/c40-38(41,42)25-46-36(50)37(33-13-5-3-10-30(33)31-11-4-6-14-34(31)37)21-7-8-22-48-23-19-28(20-24-48)47-35(49)32-12-2-1-9-29(32)26-15-17-27(18-16-26)39(43,44)45/h1-6,9-18,28H,7-8,19-25H2,(H,46,50)(H,47,49)/p+1
InChIKeyMBBCVAKAJPKAKM-UHFFFAOYSA-O
ChEBI Ontology
Outgoing Relation(s)
lomitapide(1+) (CHEBI:72302) is a ammonium ion derivative (CHEBI:35274)
lomitapide(1+) (CHEBI:72302) is a organic cation (CHEBI:25697)
lomitapide(1+) (CHEBI:72302) is conjugate acid of lomitapide (CHEBI:72297)
Incoming Relation(s)
lomitapide mesylate (CHEBI:72299) has part lomitapide(1+) (CHEBI:72302)
lomitapide (CHEBI:72297) is conjugate base of lomitapide(1+) (CHEBI:72302)
IUPAC Name 
1-(4-{9-[(2,2,2-trifluoroethyl)carbamoyl]-9H-fluoren-9-yl}butyl)-4-({[4'-(trifluoromethyl)biphenyl-2-yl]carbonyl}amino)piperidinium
Synonym  Source
lomitapide cationChEBI