Mrv0541 03041414222D          

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 16 23  1  0  0  0  0
M  END
> <ID>
CHEBI:32269

> <NAME>
tropisetron

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

> <STAR>
3

> <SYNONYM>
1alphaH,5alphaH-Tropan-3alpha-yl indole-3-carboxylate

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

> <INN>
tropisetronum; tropisetron

> <FORMULA>
C17H20N2O2

> <MASS>
284.35290

> <MONOISOTOPIC_MASS>
284.15248

> <CHARGE>
0

> <SMILES>
CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)c1c[nH]c2ccccc12

> <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

> <CAS_REGISTRY_NUMBER>
89565-68-4

> <REAXYS_REGISTRY_NUMBER>
3619989

> <CHEMIDPLUS>
89565-68-4

> <KEGG_COMPOUND_ACCESSION>
C13666

> <KEGG_DRUG_ACCESSION>
D02130

> <PDBECHEM_ACCESSION>
TKT

> <WIKIPEDIA_ACCESSION>
Tropisetron

> <PUBMED_CITATION>
22905891; 23135693; 23415734; 23440693; 23515583; 23717236; 23727438; 23774631; 23868810; 23896722; 23937291; 24226381; 24374478; 24389031; 24455480; 24461640

$$$$