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ChEBI
> Main
CHEBI:72302 - lomitapide(1+)
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ChEBI Ontology
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ChEBI Name
lomitapide(1+)
ChEBI ID
CHEBI:72302
Definition
An ammonium ion resulting from the protonation of the nitrogen of the tertiary amino group of lomitapide.
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This entity has been manually annotated by the ChEBI Team.
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Formula
C39H38F6N3O2
Net Charge
+1
Average Mass
694.72830
Monoisotopic Mass
694.28627
InChI
InChI=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
InChIKey
MBBCVAKAJPKAKM-UHFFFAOYSA-O
SMILES
FC(F)(F)CNC(=O)C1(CCCC[NH+]2CCC(CC2)NC(=O)c2ccccc2-c2ccc(cc2)C(F)(F)F)c2ccccc2-c2ccccc12
ChEBI Ontology
Outgoing
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
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]-
9
H
-
fluoren-
9-
yl}butyl)-
4-
({[4'-
(trifluoromethyl)biphenyl-
2-
yl]carbonyl}amino)piperidinium
Synonym
Source
lomitapide cation
ChEBI
Last Modified
24 May 2013