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Ticagrelor Metabolite-M5-[d7]

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General Information
Catalog: BLP-007443
Molecular Formula: C14H15D7N6O4S
Molecular Weight: 377.47

Chemical Structure

Description	Ticagrelor Metabolite-M5-[d7] is the labelled metabolite of Ticagrelor.
IUPAC Name	(1S,2S,3R,5S)-3-[7-amino-5-(1,1,2,2,3,3,3-heptadeuteriopropylsulfanyl)triazolo[4,5-d]pyrimidin-3-yl]-5-(2-hydroxyethoxy)cyclopentane-1,2-diol
Related CAS	1251765-07-7 (unlabelled)
Canonical SMILES	CCCSC1=NC(=C2C(=N1)N(N=N2)C3CC(C(C3O)O)OCCO)N
InChI	InChI=1S/C14H22N6O4S/c1-2-5-25-14-16-12(15)9-13(17-14)20(19-18-9)7-6-8(24-4-3-21)11(23)10(7)22/h7-8,10-11,21-23H,2-6H2,1H3,(H2,15,16,17)/t7-,8+,10+,11-/m1/s1/i1D3,2D2,5D2
InChI Key	YTYBSYIHUFBLKV-NWVONJBHSA-N
Purity	>98%