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N-Desmethyl Avitriptan-[d8]

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General Information
Catalog: BLP-004953
Molecular Formula: C21H20D8N6O3S
Molecular Weight: 452.60

Chemical Structure

Description	N-Desmethyl Avitriptan-[d8] is the labelled analogue of N-Desmethyl Avitriptan, which is a metabolite of Avitriptan. Avitriptan acts as a 5-HT1B and 5-HT1D receptor agonist.
Synonyms	N-Desmethyl Avitriptan D8; N-(3-(3-(4-(5-methoxypyrimidin-4-yl)piperazin-1-yl-2,2,3,3,5,5,6,6-d8)propyl)-1H-indol-5-yl)methanesulfonamide
IUPAC Name	[3-[3-[2,2,3,3,5,5,6,6-octadeuterio-4-(5-methoxypyrimidin-4-yl)piperazin-1-yl]propyl]-1H-indol-5-yl]methanesulfonamide
Related CAS	150842-69-6 (unlabelled)
Canonical SMILES	COC1=CN=CN=C1N2CCN(CC2)CCCC3=CNC4=C3C=C(C=C4)CS(=O)(=O)N
InChI	InChI=1S/C21H28N6O3S/c1-30-20-13-23-15-25-21(20)27-9-7-26(8-10-27)6-2-3-17-12-24-19-5-4-16(11-18(17)19)14-31(22,28)29/h4-5,11-13,15,24H,2-3,6-10,14H2,1H3,(H2,22,28,29)/i7D2,8D2,9D2,10D2
InChI Key	VPWKKLQAJWALMT-UFBJYANTSA-N
Purity	>98%