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Chemical structure of Eletriptan HBr

GC17053

Eletriptan HBr

Also known as 5-[2-(benzenesulfonyl)ethyl]-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indole;hydrobromide

Eletriptan HBr (Eletriptan HBr) is a selective 5-HT1B and 5-HT1D receptor agonist with Ki of 0·92 nM and 3·14 nM, respectively

ChemicalCAS177834-92-3MW463.43FormulaC22H27BrN2O2S
CAS number
177834-92-3
Molecular weight
463.43
Formula
C22H27BrN2O2S
Solubility
≥ 23·2mg/mL in DMSO
InChIKey
UTINOWOSWSPFLJ-FSRHSHDFSA-N
Catalogue number
GC17053
Brand
GLPBIO
Computed properties PubChem CID 656631 · TPSA 61.6 Ų · H-bond donors 2 · H-bond acceptors 3
TPSA
61.6 Ų
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
6
Heavy atoms
28

SMILES CN1CCC[C@@H]1CC2=CNC3=C2C=C(C=C3)CCS(=O)(=O)C4=CC=CC=C4.Br

Computed descriptors from PubChem (CID 656631), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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