Eletriptan hydrobromide monohydrateProduct ingredient for Eletriptan
- Name
- Eletriptan hydrobromide monohydrate
- Drug Entry
- Eletriptan
Eletriptan is a second generation triptan drug developed by Pfizer Inc for the treatment of migraine headaches.
- Accession Number
- DBSALT002562
- Structure
Structure for Eletriptan hydrobromide monohydrate (DBSALT002562)
- Synonyms
- Not Available
- UNII
- 4139X692FA
- CAS Number
- 273211-28-2
- Weight
- Average: 481.45
Monoisotopic: 480.108227 - Chemical Formula
- C22H29BrN2O3S
- InChI Key
- BORDVONYOHPTGR-JQDLGSOUSA-N
- InChI
- InChI=1S/C22H26N2O2S.BrH.H2O/c1-24-12-5-6-19(24)15-18-16-23-22-10-9-17(14-21(18)22)11-13-27(25,26)20-7-3-2-4-8-20;;/h2-4,7-10,14,16,19,23H,5-6,11-13,15H2,1H3;1H;1H2/t19-;;/m1../s1
- IUPAC Name
- 5-[2-(benzenesulfonyl)ethyl]-3-{[(2R)-1-methylpyrrolidin-2-yl]methyl}-1H-indole hydrate hydrobromide
- SMILES
- O.Br.CN1CCC[C@@H]1CC1=CNC2=CC=C(CCS(=O)(=O)C3=CC=CC=C3)C=C12
- External Links
- ChemSpider
- 8067035
- Predicted Properties
Property Value Source Water Solubility 0.00118 mg/mL ALOGPS logP 3.84 ALOGPS logP 3.77 Chemaxon logS -5.5 ALOGPS pKa (Strongest Acidic) 17.11 Chemaxon pKa (Strongest Basic) 8.37 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 3 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 53.17 Å2 Chemaxon Rotatable Bond Count 6 Chemaxon Refractivity 110.94 m3·mol-1 Chemaxon Polarizability 42.92 Å3 Chemaxon Number of Rings 4 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule Yes Chemaxon