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Ticagrelor metabolite-M8-[d7]

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General Information
Catalog: BLP-007444
Molecular Formula: C21H17D7F2N6O3S
Molecular Weight: 485.6

Chemical Structure

Description	Ticagrelor metabolite-M8-[d7] is the labelled metabolite of Ticagrelor.
Synonyms	Deshydroxyethoxy Ticagrelor D7; Ticagrelor D7 metabolite
IUPAC Name	(1S,2R,3S,4R)-4-[7-[[(1R,2S)-2-(3,4-difluorophenyl)cyclopropyl]amino]-5-(1,1,2,2,3,3,3-heptadeuteriopropylsulfanyl)triazolo[4,5-d]pyrimidin-3-yl]cyclopentane-1,2,3-triol
Related CAS	220347-05-7 (unlabelled)
Canonical SMILES	CCCSC1=NC(=C2C(=N1)N(N=N2)C3CC(C(C3O)O)O)NC4CC4C5=CC(=C(C=C5)F)F
InChI	InChI=1S/C21H24F2N6O3S/c1-2-5-33-21-25-19(24-13-7-10(13)9-3-4-11(22)12(23)6-9)16-20(26-21)29(28-27-16)14-8-15(30)18(32)17(14)31/h3-4,6,10,13-15,17-18,30-32H,2,5,7-8H2,1H3,(H,24,25,26)/t10-,13+,14+,15-,17-,18+/m0/s1/i1D3,2D2,5D2
InChI Key	XYLIQTKEYHWYGG-KBABNUDRSA-N
Purity	≥95%
Solubility	Soluble in DMSO
Appearance	Off-white to Pale Yellow Solid
Storage	Store at 2-8°C