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Sumatriptan-[d6]

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General Information
Catalog: BLP-012603
CAS: 1020764-38-8
Molecular Formula: C14H15D6N3O2S
Molecular Weight: 301.44

Chemical Structure

Description	Sumatriptan-[d6] is the labelled analogue of Sumatriptan. Sumatriptan is a Serotonin-1b and Serotonin-1d Receptor Agonist that acts selectively at 5HT1 receptors. It is a sulfonamide triptan with vasoconstrictor activity. It selectively binds to and activates serotonin 5-HT1D receptors in the central nervous system, thus constricts cerebral blood vessels. It may also relieve vascular headaches by decreasing the release of vasoactive neuropeptides from perivascular trigeminal axons in the dura mater. It is a medication used for the treatment of migraine headaches.
Synonyms	Sumatriptan D6; 3-[2-(Dimethyl-d6-amino)-ethyl]-N-methyl-1H-indole-5-methanesulfonamide
IUPAC Name	1-[3-[2-[bis(trideuteriomethyl)amino]ethyl]-1H-indol-5-yl]-N-methylmethanesulfonamide
Related CAS	103628-46-2 (unlabelled)
Isomeric SMILES	[2H]C([2H])([2H])N(CCC1=CNC2=C1C=C(C=C2)CS(=O)(=O)NC)C([2H])([2H])[2H]
Canonical SMILES	CNS(=O)(=O)CC1=CC2=C(C=C1)NC=C2CCN(C)C
InChI	InChI=1S/C14H21N3O2S/c1-15-20(18,19)10-11-4-5-14-13(8-11)12(9-16-14)6-7-17(2)3/h4-5,8-9,15-16H,6-7,10H2,1-3H3/i2D3,3D3
InChI Key	KQKPFRSPSRPDEB-XERRXZQWSA-N
Melting Point	180-182°C
Purity	95% by HPLC; 98% atom D
Solubility	Soluble in Methanol
Appearance	White to Pale Red to Light Beige Solid
Storage	Store at -20°C, under inert atmosphere