Eletriptan

Description

Eletriptan · CAS 143322-58-1 · C22H26N2O2S. UNII 22QOO9B8KI. Solubility: 1.18e-03 g/L; LogP: 3.9.

Identification

CAS Registry Number	143322-58-1
PubChem CID	77993
Molecular formula	C22H26N2O2S
IUPAC name	5-[2-(benzenesulfonyl)ethyl]-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indole
UNII (FDA)	22QOO9B8KI

Computed Descriptors

Molecular Weight	382.5
XLogP3	4.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	6
Exact Mass	382.17149925
Monoisotopic Mass	382.17149925
Topological Polar Surface Area	61.6
Heavy Atom Count	27
Formal Charge	0

Physical & Chemical Properties

Solubility	1.18e-03 g/L
LogP	3.9

Physical description & handling notes

• Solid
• Readily soluble as hydrobromide formulation
• 189.45 Ų [M+K]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
• 183.83 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
• 187.47 Ų [M+Na]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
• 174.86 Ų [M+H-H2O]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]

GHS Hazard Classification

Reported hazard statements	H302 (100%), H318 (100%), H412 (100%)

Documented Uses

• Use (kg; approx.) in Germany (2009): >25
• Consumption (g per capita; approx.) in Germany (2009): 0.000305
• For the acute treatment of migraine with or without aura in adults.
• Breast Feeding; Lactation; Milk, Human; Serotonin Receptor Agonists; Serotonin 5-HT1 Receptor Agonists; Triptans; Vasoconstrictor Agents
• Eletriptan (Class: Other Substances, Added Date: 03-2006)
• Take with or without food. High-fat meals increase exposure, but not to a clinically relevant extent.

Synonyms

Eletriptan; 143322-58-1; eletriptanum; UK 116044; UK-116044; DTXSID9046861; UK-116,044; 22QOO9B8KI; 5-[2-(benzenesulfonyl)ethyl]-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indole; CHEBI:50922; UK-116044-04 FREE BASE; UK-116,044-04 FREE BASE; 5-[2-(benzenesulfonyl)ethyl]-3-{[(2R)-1-methylpyrrolidin-2-yl]methyl}-1H-indole; DTXCID7026861; (R)-3-((1-methyl-2-pyrrolidinyl)methyl)-5-(2-(phenylsulfonyl)ethyl)-1H-indole; 3-(((2R)-1-methylpyrrolidin-2-yl)methyl)-5-(2-phenylsulfonylethyl)-1H-indole

Frequently Asked Questions

What are the CAS number and molecular formula of Eletriptan?

CAS 143322-58-1; molecular formula C22H26N2O2S; molecular weight — g/mol.

What other names is Eletriptan known by?

Eletriptan, 143322-58-1, eletriptanum, UK 116044, UK-116044, DTXSID9046861.

Is Eletriptan classified as hazardous?

Hazard statements reported: H302, H318, H412.

What are the key physical properties of Eletriptan?

Solubility: 1.18e-03 g/L; LogP: 3.9.

Facts on this page are taken from PubChem (US National Library of Medicine) and Wikidata. Grade-specific data — assay, moisture, particle size, packaging, shelf life — is issued per batch on the COA and is not published here.