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trans R-138727MP-[d3] (Mixture of Diastereomers)

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General Information
Catalog: BLP-007837
Molecular Formula: C27H25D3FNO5S
Molecular Weight: 500.60

Chemical Structure

Description	trans R-138727MP-[d3] is the labelled analogue of trans R-138727MP, which is an active metabolite derivative of Prasugrel.
Synonyms	trans R-138727MP-d3 (Prasugrel Metabolite Derivative) (Mixture of Diastereomers); (2E)-2-[1-[2-Cyclopropyl-1-(2-fluorophenyl)-2-oxoethyl]-4-[[2-(3-(methoxy-d3)phenyl)-2-oxoethyl]thio]-3-piperidinylidene]acetic Acid
IUPAC Name	(2E)-2-[1-[2-cyclopropyl-1-(2-fluorophenyl)-2-oxoethyl]-4-[2-oxo-2-[3-(trideuteriomethoxy)phenyl]ethyl]sulfanylpiperidin-3-ylidene]acetic acid
Related CAS	929211-64-3 (unlabelled cis-isomer)
Canonical SMILES	COC1=CC=CC(=C1)C(=O)CSC2CCN(CC2=CC(=O)O)C(C3=CC=CC=C3F)C(=O)C4CC4
InChI	InChI=1S/C27H28FNO5S/c1-34-20-6-4-5-18(13-20)23(30)16-35-24-11-12-29(15-19(24)14-25(31)32)26(27(33)17-9-10-17)21-7-2-3-8-22(21)28/h2-8,13-14,17,24,26H,9-12,15-16H2,1H3,(H,31,32)/b19-14+/i1D3
InChI Key	HNPJXQKTFJGUSO-CMYQOJSESA-N
Appearance	Yellow Powder
Storage	Store at -20°C