tropisetron

CHEBI:32269 ·resolve ·ANTIPROTOZOAL ·EXACT SEEDED

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

Machine-generated and unreviewed. Identity, structure and cross-references come straight from ChEBI's and CARD's own data; no curator has signed off on this record yet.

Classification

Strictly broader compounds or drug classes this molecule belongs to.

CHEBI:38295 CHEBI:38295
CHEBI:46939 CHEBI:46939
CHEBI:50996 CHEBI:50996

Chemical structure

Computed structure properties
Molecular formula	C17H20N2O2
Charge	0
Average mass	284.359 Da
Monoisotopic mass	284.15248 Da
Source	ChEBI
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+

Also called

tropisetronum (INN)— chebi
(3-endo)-8-methyl-8-azabicyclo[3.2.1]oct-3-yl 1H-indole-3-carboxylate (EXACT_SYNONYM)— chebi
1alphaH,5alphaH-Tropan-3alpha-yl indole-3-carboxylate (EXACT_SYNONYM)— chebi

Cross-references

Equivalent identifiers for this same structure in other resources.

cas:89565-68-4
drugcentral:2775
kegg.compound:C13666
kegg.drug:D02130
pdb-ccd:TKT
reaxys:3619989
wikipedia.en:Tropisetron

Activity roles

Every antimicrobial role a source asserts for this compound — the unreduced evidence behind its antimicrobial_class.

CHEBI:36335 CHEBI:36335

Source concepts

Every upstream concept that resolved to this record. The merge is the product: this is what shows ChEBI and CARD are describing the same structure.

Upstream concepts merged into this record
Source	Native ID	Label	Minted CURIE	Version
CHEBI	`CHEBI:32269`	tropisetron	`antibioticmech:chebi-ef2be07ff7`	2026-08-30

Curation history

SEEDED_FROM_SOURCES 2026-08-30 · seed_from_sources
Seeded from data/raw/ inventories (CHEBI)
RESEEDED_FROM_SOURCES 2026-08-30 · seed_from_sources
Re-seeded from updated data/raw/ inventories
RESEEDED_FROM_SOURCES 2026-08-30 · seed_from_sources
Re-seeded from updated data/raw/ inventories

Provenance

Seeded by scripts/seed_from_sources.py from the committed inventories in data/raw/. View the record.