Granisetron (JAN/USAN/INN)
1-methyl-N-[(1R,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]indazole-3-carboxamide
Molecular Identity
Granisetron (JAN/USAN/INN)
1-methyl-N-[(1R,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]indazole-3-carboxamide
PubChem CID: 5284566
Granisetron is a 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. It has a role as a serotonergic antagonist and an antiemetic. It is a monocarboxylic acid amide, a member of indazoles and a tertiary amino compound.
2D Structure
Properties
C18H24N4O
Molecular Formula
312.40
Molecular Weight
g/mol
312.1950
Exact Mass
Da
2.8
XLogP
Drug-like (Lipinski: < 5)
50.2
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
3
H-Bond Acceptors
442
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
Granisetron (JAN/USAN/INN)RefChem:1086176granisetron109889-09-0SancusoSustolKevatrilBRL-43694Granisetronumexo-GranisetronAPF530Kytril1-methyl-N-[(1S,5R)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]indazole-3-carboxamideAPF 530WZG3J2MCOL
Data from PubChem (NCBI)
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