loading...| Preferred Name |
tropisetron |
|
| Synonyms |
(3-endo)-8-methyl-8-azabicyclo[3.2.1]oct-3-yl 1H-indole-3-carboxylate tropisetron tropisetronum 1alphaH,5alphaH-Tropan-3alpha-yl indole-3-carboxylate |
|
| Definitions |
An indolyl carboxylate ester obtained by formal condensation of the carboxy group of indole-3-carboxylic acid with the hydroxy group of tropine. |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_32269 |
|
| charge |
0 |
|
| database_cross_reference |
KEGG:C13666 PMID:24374478 KEGG:D02130 PMID:23896722 PMID:23415734 PMID:23440693 PMID:23937291 Drug_Central:2775 PMID:24226381 PMID:22905891 PDBeChem:TKT PMID:23727438 PMID:24389031 CAS:89565-68-4 PMID:23717236 PMID:23135693 PMID:23515583 PMID:24455480 Reaxys:3619989 PMID:24461640 Wikipedia:Tropisetron PMID:23868810 PMID:23774631 |
|
| definition |
An indolyl carboxylate ester obtained by formal condensation of the carboxy group of indole-3-carboxylic acid with the hydroxy group of tropine. |
|
| formula |
C17H20N2O2 |
|
| has functional parent | ||
| has role |
http://purl.obolibrary.org/obo/CHEBI_47958 http://purl.obolibrary.org/obo/CHEBI_50846 http://purl.obolibrary.org/obo/CHEBI_50919 http://purl.obolibrary.org/obo/CHEBI_68494 http://purl.obolibrary.org/obo/CHEBI_48279 http://purl.obolibrary.org/obo/CHEBI_36335 |
|
| has_exact_synonym |
(3-endo)-8-methyl-8-azabicyclo[3.2.1]oct-3-yl 1H-indole-3-carboxylate |
|
| has_obo_namespace |
chebi_ontology |
|
| has_related_synonym |
tropisetron tropisetronum 1alphaH,5alphaH-Tropan-3alpha-yl indole-3-carboxylate |
|
| id |
CHEBI:32269 |
|
| in_subset | ||
| 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 |
|
| is conjugate base of | ||
| label |
tropisetron |
|
| mass |
284.35290 |
|
| monoisotopicmass |
284.15248 |
|
| notation |
CHEBI:32269 |
|
| prefLabel |
tropisetron |
|
| smiles |
CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)c1c[nH]c2ccccc12 |
|
| treeView |
http://purl.obolibrary.org/obo/CHEBI_46939 |
|
| subClassOf |
http://purl.obolibrary.org/obo/CHEBI_46939 |