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CHEBI:5537 - granisetron

ChEBI IDCHEBI:5537
ChEBI Namegranisetron
Stars
DefinitionA monocarboxylic acid amide resulting from the formal condensation of the carboxy group of 1-methyl-1H-indazole-3-carboxylic acid with the primary amino group of (3-endo)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine. A selective 5-HT3 receptor antagonist, it is used (generally as the monohydrochloride salt) to manage nausea and vomiting caused by cancer chemotherapy and radiotherapy, and to prevent and treat postoperative nausea and vomiting.
Last Modified23 February 2017
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FormulaC18H24N4O
Net Charge0
Average Mass312.417
Monoisotopic Mass312.19501
SMILESCN1[C@@H]2CCC[C@H]1C[C@@H](NC(=O)c1nn(C)c3ccccc13)C2
InChIInChI=1S/C18H24N4O/c1-21-13-6-5-7-14(21)11-12(10-13)19-18(23)17-15-8-3-4-9-16(15)22(2)20-17/h3-4,8-9,12-14H,5-7,10-11H2,1-2H3,(H,19,23)/t12-,13+,14-
InChIKeyMFWNKCLOYSRHCJ-BTTYYORXSA-N

Wikipedia
Roles Classification

ChEBI Ontology
IUPAC Name 
1-methyl-N-[(3-endo)-9-methyl-9-azabicyclo[3.3.1]non-3-yl]-1H-indazole-3-carboxamide
INNs  Source
granisetronum  laWHO MedNet
granisetronWHO MedNet
granisétron  frWHO MedNet
granisetrón  esWHO MedNet
Synonyms  Source
BRL 43694ChemIDplus
APF530ChemIDplus
1-methyl-N-(9-methyl-endo-9-azabicyclo(3.3.1)non-3-yl)-1H-indazole-3-carboxamideChemIDplus
APF 530ChemIDplus
Brand Names  Source
SancusoKEGG DRUG
SancusoChemIDplus
SustolChemIDplus
KevatrilChemIDplus
Manual XrefsDatabases
C07023KEGG COMPOUND
D04370KEGG DRUG
EP200444Patent
US4886808Patent
GranisetronWikipedia
DB00889DrugBank
HMDB0015026HMDB
CWBPDBeChem
1329DrugCentral
Registry NumbersSources
Reaxys:3655275Reaxys
CAS:109889-09-0KEGG COMPOUND
CAS:109889-09-0ChemIDplus
Citations