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ChEBI
> Main
CHEBI:83355 - eliglustat(1+)
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ChEBI Name
eliglustat(1+)
ChEBI ID
CHEBI:83355
Definition
An organic cation obtained by protonation of the tertiary amino function of eliglustat.
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This entity has been manually annotated by the ChEBI Team.
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Formula
C23H37N2O4
Net Charge
+1
Average Mass
405.55030
Monoisotopic Mass
405.27478
InChI
InChI=1S/C23H36N2O4/c1-
2-
3-
4-
5-
6-
9-
22(26)
24-
19(17-
25-
12-
7-
8-
13-
25)
23(27)
18-
10-
11-
20-
21(16-
18)
29-
15-
14-
28-
20/h10-
11,16,19,23,27H,2-
9,12-
15,17H2,1H3,(H,24,26)
/p+1/t19-
,23-
/m1/s1
InChIKey
FJZZPCZKBUKGGU-AUSIDOKSSA-O
SMILES
CCCCCCCC(=O)N[C@H](C[NH+]1CCCC1)[C@H](O)c1ccc2OCCOc2c1
ChEBI Ontology
Outgoing
eliglustat(1+) (
CHEBI:83355
)
is a
ammonium ion derivative (
CHEBI:35274
)
eliglustat(1+) (
CHEBI:83355
)
is a
organic cation (
CHEBI:25697
)
eliglustat(1+) (
CHEBI:83355
)
is conjugate acid of
eliglustat (
CHEBI:82752
)
Incoming
eliglustat tartrate (
CHEBI:83353
)
has part
eliglustat(1+) (
CHEBI:83355
)
eliglustat (
CHEBI:82752
)
is conjugate base of
eliglustat(1+) (
CHEBI:83355
)
IUPAC Name
1-
[(2
R
,3
R
)-
3-
(2,3-
dihydro-
1,4-
benzodioxin-
6-
yl)-
3-
hydroxy-
2-
(octanoylamino)propyl]pyrrolidinium
Last Modified
20 October 2014