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ChEBI
> Main
CHEBI:77571 - tropisetron(1+)
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ChEBI Ontology
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ChEBI Name
tropisetron(1+)
ChEBI ID
CHEBI:77571
Definition
An organic cation that is the conjugate acid of tropisetron, obtained by protonation of the tertiary amino group.
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This entity has been manually annotated by the ChEBI Team.
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Formula
C17H21N2O2
Net Charge
+1
Average Mass
285.36030
Monoisotopic Mass
285.15975
InChI
InChI=1S/C17H20N2O2/c1-
19-
11-
6-
7-
12(19)
9-
13(8-
11)
21-
17(20)
15-
10-
18-
16-
5-
3-
2-
4-
14(15)
16/h2-
5,10-
13,18H,6-
9H2,1H3/p+1/t11-
,12+,13+
InChIKey
ZNRGQMMCGHDTEI-ITGUQSILSA-O
SMILES
C[NH+]1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)c1c[nH]c2ccccc12
ChEBI Ontology
Outgoing
tropisetron(1+) (
CHEBI:77571
)
is a
ammonium ion derivative (
CHEBI:35274
)
tropisetron(1+) (
CHEBI:77571
)
is a
organic cation (
CHEBI:25697
)
tropisetron(1+) (
CHEBI:77571
)
is conjugate acid of
tropisetron (
CHEBI:32269
)
Incoming
tropisetron hydrochloride (
CHEBI:77570
)
has part
tropisetron(1+) (
CHEBI:77571
)
tropisetron (
CHEBI:32269
)
is conjugate base of
tropisetron(1+) (
CHEBI:77571
)
IUPAC Name
(3-
endo
,8-
syn
)-
3-
[(1
H
-
indol-
3-
ylcarbonyl)oxy]-
8-
methyl-
8-
azoniabicyclo[3.2.1]octane
Synonym
Source
tropisetron cation
ChEBI
Last Modified
04 March 2014