Palonosetron hydrochlorideProduct ingredient for Palonosetron
- Name
- Palonosetron hydrochloride
- Drug Entry
- Palonosetron
Palonosetron (INN, trade name Aloxi) is an antagonist of 5-HT3 receptors that is indicated for the prevention and treatment of chemotherapy-induced nausea and vomiting (CINV). It is the most effective of the 5-HT3 antagonists in controlling delayed CINV nausea and vomiting that appear more than 24 hours after the first dose of a course of chemotherapy and is the only drug of its class approved for this use by the U.S. Food and Drug Administration. As of 2008, it is the most recent 5-HT3 antagonist to enter clinical use.
- Accession Number
- DBSALT001057
- Structure
- Synonyms
- Palonosetron HCl
- UNII
- 23310D4I19
- CAS Number
- 135729-62-3
- Weight
- Average: 332.87
Monoisotopic: 332.1655411 - Chemical Formula
- C19H25ClN2O
- InChI Key
- OLDRWYVIKMSFFB-SSPJITILSA-N
- InChI
- InChI=1S/C19H24N2O.ClH/c22-19-16-6-2-4-14-3-1-5-15(18(14)16)11-21(19)17-12-20-9-7-13(17)8-10-20;/h2,4,6,13,15,17H,1,3,5,7-12H2;1H/t15-,17-;/m1./s1
- IUPAC Name
- (5S)-3-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-3-azatricyclo[7.3.1.0^{5,13}]trideca-1(12),9(13),10-trien-2-one hydrochloride
- SMILES
- Cl.[H][C@]12CCCC3=C1C(=CC=C3)C(=O)N(C2)[C@@H]1CN2CCC1CC2
- External Links
- ChemSpider
- 5293509
- ChEBI
- 85157
- ChEMBL
- CHEMBL1720
- Wikipedia
- Palonosetron
- Predicted Properties
Property Value Source Water Solubility 0.464 mg/mL ALOGPS logP 2.72 ALOGPS logP 2.55 Chemaxon logS -2.8 ALOGPS pKa (Strongest Basic) 7.97 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 2 Chemaxon Hydrogen Donor Count 0 Chemaxon Polar Surface Area 23.55 Å2 Chemaxon Rotatable Bond Count 1 Chemaxon Refractivity 88.52 m3·mol-1 Chemaxon Polarizability 33.9 Å3 Chemaxon Number of Rings 5 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule Yes Chemaxon MDDR-like Rule No Chemaxon