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trans R-138727-[d4] (Mixture of Diastereomers)

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General Information
Catalog: BLP-007839
Molecular Formula: C18H16D4FNO3S
Molecular Weight: 353.44

Chemical Structure

Description	trans R-138727-[d4] (Mixture of Diastereomers) is the labelled analogue of trans R-138727 (Mixture of Diastereomers), which is an active metabolite of Prasugrel.
Synonyms	trans R-138727-d4; Prasugrel-d4 Metabolite; (2E)-2-[1-[2-(Cyclopropyl-d4)-1-(2-fluorophenyl)-2-oxoethyl]-4-mercapto-3-piperidinylidene]acetic Acid; Prasugrel-d4 metabolite R-138727
IUPAC Name	(2Z)-2-[1-[1-(2-fluorophenyl)-2-oxo-2-(2,2,3,3-tetradeuteriocyclopropyl)ethyl]-4-sulfanylpiperidin-3-ylidene]acetic acid
Related CAS	239466-74-1 (unlabelled)
Canonical SMILES	C1CC1C(=O)C(C2=CC=CC=C2F)N3CCC(C(=CC(=O)O)C3)S
InChI	InChI=1S/C18H20FNO3S/c19-14-4-2-1-3-13(14)17(18(23)11-5-6-11)20-8-7-15(24)12(10-20)9-16(21)22/h1-4,9,11,15,17,24H,5-8,10H2,(H,21,22)/b12-9-/i5D2,6D2
InChI Key	ZWUQVNSJSJHFPS-ATGMXLNZSA-N
Purity	≥95%
Solubility	Slightly soluble in Chloroform, Methanol
Appearance	Pale Yellow Solid
Storage	Store at -20°C under inert atmosphere