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
Thumb
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
PubChem Compound
656631
ChemSpider
570985
ChEBI
61176
ChEMBL
CHEMBL1201003
Wikipedia
Eletriptan
Predicted Properties
PropertyValueSource
Water Solubility0.00118 mg/mLALOGPS
logP3.84ALOGPS
logP3.77ChemAxon
logS-5.5ALOGPS
pKa (Strongest Acidic)17.11ChemAxon
pKa (Strongest Basic)8.37ChemAxon
Physiological Charge1ChemAxon
Hydrogen Acceptor Count3ChemAxon
Hydrogen Donor Count1ChemAxon
Polar Surface Area53.17 Å2ChemAxon
Rotatable Bond Count6ChemAxon
Refractivity110.94 m3·mol-1ChemAxon
Polarizability42.92 Å3ChemAxon
Number of Rings4ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleYesChemAxon