Chemical substance record

Tropisetron

89565-68-4C₁₇H₂₀N₂O₂284.359 g/mol

Organic/Inorganic Small MoleculeChEBI source record

An indolyl carboxylate ester obtained by formal condensation of the carboxy group of indole-3-carboxylic acid with the hydroxy group of tropine. — ChEBI

Safety references

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Identity & molecular properties

Source-linked values

CAS number	89565-68-4	ChEBI ↗
Molecular formula	C₁₇H₂₀N₂O₂	ChEBI ↗
Molar mass	284.359 g/mol	ChEBI ↗
Monoisotopic mass	284.15248 Da	ChEBI ↗
Formal charge	0	ChEBI ↗
ChEBI identifier	CHEBI:32269	ChEBI ↗

Names & structural identifiers

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Source preferred name

tropisetron

IUPAC name

(3-endo)-8-methyl-8-azabicyclo[3.2.1]oct-3-yl 1H-indole-3-carboxylate

InChIKey

ZNRGQMMCGHDTEI-ITGUQSILSA-N

SMILES

[H][C@]12CC[C@]([H])(C[C@H](OC(=O)c3cnc4ccccc34)C1)N2C

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+

Names & synonyms

(3-endo)-8-methyl-8-azabicyclo[3.2.1]oct-3-yl 1H-indole-3-carboxylatetropisetronum

Names are supplied by ChEBI. Trade names and related synonyms may describe a broader product context.

Classification & relationships

ChEBI ontology

azabicycloalkaneChEBI parent class · 38295 ↗indolyl carboxylate esterChEBI parent class · 46939 ↗tertiary amino compoundChEBI parent class · 50996 ↗

ester organic heterocyclic compound organic molecular entity

Roles recorded in ChEBI

analgesictrypanocidal drugnicotinic acetylcholine receptor agonistserotonergic antagonistimmunomodulatorantiemeticneuroprotective agentanti-inflammatory agentapoptosis inhibitor

Database role annotations describe reported biological or chemical roles; they are not product approvals or recommendations for use.

Mass ↔ amount of substance

Calculated from sourced mass

Amount

Input unit

Equivalent amount

0.00351668 mol

Uses 284.359 g/mol from ChEBI. Assumes the substance described by this record; no purity or concentration correction is applied.

Elemental composition

Theoretical mass fractions

C

Carbon · 17 atoms

71.81%

O

Oxygen · 2 atoms

11.25%

N

Nitrogen · 2 atoms

9.85%

H

Hydrogen · 20 atoms

7.09%

Calculated theoretical mass fractions from the reported formula and PubChem periodic-table atomic masses. These are not assay or purity results.

Research & patent references

Selected source associations

The effect of paracetamol and tropisetron on pain: experimental studies and a review of published data. ↗Basic & clinical pharmacology & toxicology · 2013 Feb · PMID 22905891

Antiemetic effects of combined methylprednisolone and tropisetron in mastectomy. ↗Minerva anestesiologica · 2013 Feb · PMID 23135693

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Sources & record history

Checked 27 Sep 2026

Identity, formula, mass, synonyms & ontologyEMBL-EBI ChEBI · CHEBI:32269

Release 255, 9 September 2026. ChEBI three-star (manually annotated) source entry. View original record ↗ · CC BY 4.0

PubCAS formats source data, connects references and computes explicitly labelled conversions. CAS cross-references are supplied by ChEBI; they do not constitute CAS verification or endorsement.

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