Eletriptan hydrobromideProduct ingredient for Eletriptan
- Name
- Eletriptan hydrobromide
- Drug Entry
- Eletriptan
Eletriptan is a second generation triptan drug developed by Pfizer Inc for the treatment of migraine headaches.
- Accession Number
- DBSALT000884
- Structure
Structure for Eletriptan hydrobromide (DBSALT000884)
- Synonyms
- Not Available
- UNII
- M41W832TA3
- CAS Number
- 177834-92-3
- Weight
- Average: 463.43
Monoisotopic: 462.097662 - Chemical Formula
- C22H27BrN2O2S
- InChI Key
- UTINOWOSWSPFLJ-FSRHSHDFSA-N
- InChI
- InChI=1S/C22H26N2O2S.BrH/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/t19-;/m1./s1
- IUPAC Name
- 5-[2-(benzenesulfonyl)ethyl]-3-{[(2R)-1-methylpyrrolidin-2-yl]methyl}-1H-indole hydrobromide
- SMILES
- Br.CN1CCC[C@@H]1CC1=CNC2=CC=C(CCS(=O)(=O)C3=CC=CC=C3)C=C12
- External Links
- PubChem Compound
- 656631
- ChemSpider
- 570985
- ChEBI
- 61176
- ChEMBL
- CHEMBL1201003
- Wikipedia
- Eletriptan
- 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 Yes Chemaxon Veber's Rule No Chemaxon MDDR-like Rule Yes Chemaxon