Tropisetron HydrochlorideProduct ingredient for Tropisetron

Name
Tropisetron Hydrochloride
Drug Entry
Tropisetron

Tropisetron is an indole derivative with antiemetic activity. As a selective serotonin receptor antagonist, tropisetron competitively blocks the action of serotonin at 5HT3 receptors, resulting in suppression of chemotherapy- and radiotherapy-induced nausea and vomiting.

Tropisetron appears to be well tolerated with the most frequently reported adverse effect being headache. Extrapyramidal side effects are rare upon using tropisetron.

Accession Number
DBSALT002051
Structure
Synonyms
Not Available
UNII
A19338Q2YO
CAS Number
105826-92-4
Weight
Average: 320.82
Monoisotopic: 320.1291556
Chemical Formula
C17H21ClN2O2
InChI Key
XIEGSJAEZIGKSA-LUNMCBQDSA-N
InChI
InChI=1S/C17H20N2O2.ClH/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;1H/t11-,12+,13+;
IUPAC Name
(1R,3S,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl 1H-indole-3-carboxylate hydrochloride
SMILES
Cl.CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)C1=CNC2=CC=CC=C12
ChemSpider
16736477
ChEBI
77570
ChEMBL
CHEMBL2130744
Predicted Properties
PropertyValueSource
Water Solubility1.33 mg/mLALOGPS
logP3.14ALOGPS
logP2.63Chemaxon
logS-2.3ALOGPS
pKa (Strongest Acidic)12.18Chemaxon
pKa (Strongest Basic)9.34Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count2Chemaxon
Hydrogen Donor Count1Chemaxon
Polar Surface Area45.33 Å2Chemaxon
Rotatable Bond Count3Chemaxon
Refractivity81.5 m3·mol-1Chemaxon
Polarizability31 Å3Chemaxon
Number of Rings4Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterYesChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleNoChemaxon