Molecular Identity
Eletriptan
5-[2-(benzenesulfonyl)ethyl]-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indole
PubChem CID: 77993
Eletriptan is an N-alkylpyrrolidine, that is N-methylpyrrolidine in which the pro-R hydrogen at position 2 is replaced by a {5-[2-(phenylsulfonyl)ethyl]-1H-indol-3-yl}methyl group. It has a role as a non-steroidal anti-inflammatory drug, a serotonergic agonist and a vasoconstrictor agent. It is a member of indoles, a sulfone and a N-alkylpyrrolidine. It is a conjugate base of an eletriptan(1+).
2D Structure
Properties
C22H26N2O2S
Molecular Formula
382.50
Molecular Weight
g/mol
382.1715
Exact Mass
Da
4.1
XLogP
Drug-like (Lipinski: < 5)
61.6
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
3
H-Bond Acceptors
582
Complexity
SMILES
Canonical SMILES
SMILES: CN1CCCC1CC2=CNC3=C2C=C(C=C3)CCS(=O)(=O)C4=CC=CC=C4Isomeric SMILES
SMILES: CN1CCC[C@@H]1CC2=CNC3=C2C=C(C=C3)CCS(=O)(=O)C4=CC=CC=C4Synonyms(20)
Eletriptan143322-58-1eletriptanumUK 116044UK-116044DTXSID9046861UK-116,04422QOO9B8KI5-[2-(benzenesulfonyl)ethyl]-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indoleCHEBI:50922UK-116044-04 FREE BASEUK-116,044-04 FREE BASE5-[2-(benzenesulfonyl)ethyl]-3-{[(2R)-1-methylpyrrolidin-2-yl]methyl}-1H-indoleDTXCID7026861(R)-3-((1-methyl-2-pyrrolidinyl)methyl)-5-(2-(phenylsulfonyl)ethyl)-1H-indole
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Eletriptan
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