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ent-Eletriptan-[d3]

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General Information
Catalog: BLP-005312
CAS: 1217698-26-4
Molecular Formula: C22H23D3N2O2S
Molecular Weight: 385.54

Chemical Structure

Description	ent-Eletriptan-[d3] is a deuterium labelled form of ent-Eletriptan, which is an enantiomeric impurity of Eletriptan. Eletriptan is a second generation triptan medication intended for treatment of migraine headaches.
Synonyms	3-[[(2S)-1-(Methyl-d3)-2-pyrrolidinyl]methyl]-5-[2-(phenylsulfonyl)ethyl]-1H-indole; ent-Eletriptan D3
IUPAC Name	5-[2-(benzenesulfonyl)ethyl]-3-[[(2S)-1-(trideuteriomethyl)pyrrolidin-2-yl]methyl]-1H-indole
Related CAS	1252673-29-2 (unlabelled)
Isomeric SMILES	[2H]C([2H])([2H])N1CCC[C@H]1CC2=CNC3=C2C=C(C=C3)CCS(=O)(=O)C4=CC=CC=C4
Canonical SMILES	CN1CCCC1CC2=CNC3=C2C=C(C=C3)CCS(=O)(=O)C4=CC=CC=C4
InChI	InChI=1S/C22H26N2O2S/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/t19-/m0/s1/i1D3
InChI Key	PWVXXGRKLHYWKM-COJYBMMNSA-N
Melting Point	38-41°C
Purity	97% by CP; 99% atom D
Solubility	Soluble in Chloroform, Methanol
Appearance	Off-white to Light Yellow Low-Melting Solid
Storage	Store at -20°C, Under inert atmosphere