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Didesmethyl Almotriptan-[d4]

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General Information
Catalog: BLP-005114
CAS: 1346604-75-8
Molecular Formula: C15H17D4N3O2S
Molecular Weight: 311.44

Chemical Structure

Description	Didesmethyl Almotriptan-[d4] is a deuterium labelled form of Didesmethyl Almotriptan, which is a metabolite of Almotriptan.
Synonyms	Didesmethyl Almotriptan D4; 2-{5-[(Pyrrolidine-1-sulfonyl)methyl]-1H-indol-3-yl}(2H4)ethan-1-amine
IUPAC Name	1,1,2,2-tetradeuterio-2-[5-(pyrrolidin-1-ylsulfonylmethyl)-1H-indol-3-yl]ethanamine
Related CAS	181178-24-5 (unlabelled)
Isomeric SMILES	[2H]C([2H])(C1=CNC2=C1C=C(C=C2)CS(=O)(=O)N3CCCC3)C([2H])([2H])N
Canonical SMILES	C1CCN(C1)S(=O)(=O)CC2=CC3=C(C=C2)NC=C3CCN
InChI	InChI=1S/C15H21N3O2S/c16-6-5-13-10-17-15-4-3-12(9-14(13)15)11-21(19,20)18-7-1-2-8-18/h3-4,9-10,17H,1-2,5-8,11,16H2/i5D2,6D2
InChI Key	XLDLLAFWGVDYHM-NZLXMSDQSA-N
Boiling Point	552.2±60.0°C at 760 mmHg
Density	1.3±0.1 g/cm3
Storage	Store at 2-8°C