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ChEBI
> Main
CHEBI:32269 - tropisetron
Main
ChEBI Ontology
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ChEBI Name
tropisetron
ChEBI ID
CHEBI:32269
Definition
An indolyl carboxylate ester obtained by formal condensation of the carboxy group of indole-3-carboxylic acid with the hydroxy group of tropine.
Stars
This entity has been manually annotated by the ChEBI Team.
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Read full article at Wikipedia
Formula
C17H20N2O2
Net Charge
0
Average Mass
284.35290
Monoisotopic Mass
284.15248
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/t11-
,12+,13+
InChIKey
ZNRGQMMCGHDTEI-ITGUQSILSA-N
SMILES
CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)c1c[nH]c2ccccc12
Roles Classification
Chemical Role
(s):
Bronsted base
A molecular entity capable of accepting a hydron from a donor (Br
o
nsted acid).
(via
organic amino compound
)
Biological Role
(s):
serotonergic antagonist
Drugs that bind to but do not activate serotonin receptors, thereby blocking the actions of serotonin or serotonergic agonists.
nicotinic acetylcholine receptor agonist
An agonist that selectively binds to and activates a nicotinic acetylcholine receptor.
trypanocidal drug
A drug used to treat or prevent infections caused by protozoal organisms belonging to the suborder Trypanosomatida.
immunomodulator
Biologically active substance whose activity affects or plays a role in the functioning of the immune system.
apoptosis inhibitor
Any substance that inhibits the process of apoptosis (programmed cell death) in multi-celled organisms.
Application
(s):
serotonergic antagonist
Drugs that bind to but do not activate serotonin receptors, thereby blocking the actions of serotonin or serotonergic agonists.
antiemetic
A drug used to prevent nausea or vomiting. An antiemetic may act by a wide range of mechanisms: it might affect the medullary control centres (the vomiting centre and the chemoreceptive trigger zone) or affect the peripheral receptors.
nicotinic acetylcholine receptor agonist
An agonist that selectively binds to and activates a nicotinic acetylcholine receptor.
trypanocidal drug
A drug used to treat or prevent infections caused by protozoal organisms belonging to the suborder Trypanosomatida.
immunomodulator
Biologically active substance whose activity affects or plays a role in the functioning of the immune system.
neuroprotective agent
Any compound that can be used for the treatment of neurodegenerative disorders.
anti-inflammatory agent
Any compound that has anti-inflammatory effects.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
tropisetron (
CHEBI:32269
)
has functional parent
indole-3-carboxylic acid (
CHEBI:24809
)
tropisetron (
CHEBI:32269
)
has functional parent
tropine (
CHEBI:15884
)
tropisetron (
CHEBI:32269
)
has role
anti-inflammatory agent (
CHEBI:67079
)
tropisetron (
CHEBI:32269
)
has role
antiemetic (
CHEBI:50919
)
tropisetron (
CHEBI:32269
)
has role
apoptosis inhibitor (
CHEBI:68494
)
tropisetron (
CHEBI:32269
)
has role
immunomodulator (
CHEBI:50846
)
tropisetron (
CHEBI:32269
)
has role
neuroprotective agent (
CHEBI:63726
)
tropisetron (
CHEBI:32269
)
has role
nicotinic acetylcholine receptor agonist (
CHEBI:47958
)
tropisetron (
CHEBI:32269
)
has role
serotonergic antagonist (
CHEBI:48279
)
tropisetron (
CHEBI:32269
)
has role
trypanocidal drug (
CHEBI:36335
)
tropisetron (
CHEBI:32269
)
is a
azabicycloalkane (
CHEBI:38295
)
tropisetron (
CHEBI:32269
)
is a
indolyl carboxylate ester (
CHEBI:46939
)
tropisetron (
CHEBI:32269
)
is a
tertiary amino compound (
CHEBI:50996
)
tropisetron (
CHEBI:32269
)
is conjugate base of
tropisetron(1+) (
CHEBI:77571
)
Incoming
tropisetron(1+) (
CHEBI:77571
)
is conjugate acid of
tropisetron (
CHEBI:32269
)
IUPAC Name
(3-
endo
)-8-methyl-8-azabicyclo[3.2.1]oct-3-yl 1
H
-indole-3-carboxylate
INNs
Sources
tropisetron
ChemIDplus
tropisetronum
ChemIDplus
Synonym
Source
1alphaH,5alphaH-Tropan-3alpha-yl indole-3-carboxylate
ChemIDplus
Manual Xrefs
Databases
2775
DrugCentral
C13666
KEGG COMPOUND
D02130
KEGG DRUG
TKT
PDBeChem
Tropisetron
Wikipedia
View more database links
Registry Numbers
Types
Sources
3619989
Reaxys Registry Number
Reaxys
89565-68-4
CAS Registry Number
KEGG COMPOUND
89565-68-4
CAS Registry Number
ChemIDplus
Citations
Types
Sources
22905891
PubMed citation
Europe PMC
23135693
PubMed citation
Europe PMC
23415734
PubMed citation
Europe PMC
23440693
PubMed citation
Europe PMC
23515583
PubMed citation
Europe PMC
23717236
PubMed citation
Europe PMC
23727438
PubMed citation
Europe PMC
23774631
PubMed citation
Europe PMC
23868810
PubMed citation
Europe PMC
23896722
PubMed citation
Europe PMC
23937291
PubMed citation
Europe PMC
24226381
PubMed citation
Europe PMC
24374478
PubMed citation
Europe PMC
24389031
PubMed citation
Europe PMC
24455480
PubMed citation
Europe PMC
24461640
PubMed citation
Europe PMC
Last Modified
22 February 2017