Tropisetron
[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 1H-indole-3-carboxylate
Molecular Identity
Tropisetron
[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 1H-indole-3-carboxylate
PubChem CID: 656665
Tropisetron is an indolyl carboxylate ester obtained by formal condensation of the carboxy group of indole-3-carboxylic acid with the hydroxy group of tropine. It has a role as a trypanocidal drug, a nicotinic acetylcholine receptor agonist, a serotonergic antagonist, an immunomodulator, an antiemetic, a neuroprotective agent, an anti-inflammatory agent and an apoptosis inhibitor. It is an azabicycloalkane, an indolyl carboxylate ester and a tertiary amino compound. It is functionally related to a tropine and an indole-3-carboxylic acid. It is a conjugate base of a tropisetron(1+).
2D Structure
Properties
C17H20N2O2
Molecular Formula
284.35
Molecular Weight
g/mol
284.1525
Exact Mass
Da
3.8
XLogP
Drug-like (Lipinski: < 5)
45.3
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
3
H-Bond Acceptors
400
Complexity
SMILES
Canonical SMILES
SMILES: CN1C2CCC1CC(C2)OC(=O)C3=CNC4=CC=CC=C43Isomeric SMILES
SMILES: CN1[C@@H]2CC[C@H]1CC(C2)OC(=O)C3=CNC4=CC=CC=C43Synonyms(20)
tropisetron89565-68-4TropisetronumNavobanTropisteronNovaban[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 1H-indole-3-carboxylateTropisetronum [INN-Latin]Tropisetron (INN)DTXSID2044137Navoban (TN)MFCD00864399ICS 205930ICF 205-930(3-endo)-8-methyl-8-azabicyclo[3.2.1]oct-3-yl 1H-indole-3-carboxylate
Data from PubChem (NCBI)
This platform is for informational purposes only and does not constitute medical advice. Always consult a qualified healthcare professional.
Drug Network
Trials and conditions connected to Tropisetron
Loading drug network...