Dolasetron mesylateProduct ingredient for Dolasetron
- Name
- Dolasetron mesylate
- Drug Entry
- Dolasetron
Dolasetron is an antinauseant and antiemetic agent indicated for the prevention of nausea and vomiting associated with moderately-emetogenic cancer chemotherapy and for the prevention of postoperative nausea and vomiting. Dolasetron is a highly specific and selective serotonin 5-HT3 receptor antagonist. This drug is not shown to have activity at other known serotonin receptors, and has low affinity for dopamine receptors.
- Accession Number
- DBSALT000959
- Structure
Structure for Dolasetron mesylate (DBSALT000959)
- Synonyms
- Dolasetron mesylate
- UNII
- U3C8E5BWKR
- CAS Number
- 878143-33-0
- Weight
- Average: 438.5
Monoisotopic: 438.146072359 - Chemical Formula
- C20H26N2O7S
- InChI Key
- QTFFGPOXNNGTGZ-LIFGOUTFSA-N
- InChI
- InChI=1S/C19H20N2O3.CH4O3S.H2O/c22-18-10-21-12-5-11(18)6-13(21)8-14(7-12)24-19(23)16-9-20-17-4-2-1-3-15(16)17;1-5(2,3)4;/h1-4,9,11-14,20H,5-8,10H2;1H3,(H,2,3,4);1H2/t11-,12-,13+,14+;;
- IUPAC Name
- (1s,3R,5r,7S)-10-oxo-8-azatricyclo[5.3.1.0^{3,8}]undecan-5-yl 1H-indole-3-carboxylate methanesulfonic acid hydrate
- SMILES
- O.CS(O)(=O)=O.[H][C@@]1(C[C@@]2([H])C[C@]3([H])C[C@@]([H])(C1)N2CC3=O)OC(=O)C1=CNC2=C1C=CC=C2
- External Links
- ChemSpider
- 30845228
- ChEMBL
- CHEMBL2368924
- Predicted Properties
Property Value Source Water Solubility 0.261 mg/mL ALOGPS logP 2.41 ALOGPS logP 2.33 Chemaxon logS -3.1 ALOGPS pKa (Strongest Acidic) 12.18 Chemaxon pKa (Strongest Basic) 5.68 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 3 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 62.4 Å2 Chemaxon Rotatable Bond Count 3 Chemaxon Refractivity 89.34 m3·mol-1 Chemaxon Polarizability 35.02 Å3 Chemaxon Number of Rings 5 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon