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trans R-138727MP-[13C6] hydrochloride (mixture of diastereomers)

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General Information
Catalog: BLP-006528
Molecular Formula: C21[13C]6H28FNO5S.HCl
Molecular Weight: 540.00

Chemical Structure

Description	trans R-138727MP-[13C6] hydrochloride (mixture of diastereomers) is the labelled analogue of trans R-138727MP hydrochloride (mixture of diastereomers), which is a metabolite of Prasugrel.
Synonyms	[13C6]-Prasugrel metabolite derivative hydrochloride (mixture of diastereomers); trans R-138727MP-13C6 Hydrochloride; 2-[1-[2-cyclopropyl-1-(2-fluorophenyl)-2-oxoethyl]-4-[2-(3-methoxyphenyl)-2-oxoethyl]sulfanylpiperidin-3-ylidene]acetic acid-13C6 hydrochloride; Prasugrel metabolite M3-13C6
IUPAC Name	2-[1-[2-cyclopropyl-1-(2-fluorophenyl)-2-oxoethyl]-4-[2-(3-methoxy(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-trien-1-yl)-2-oxoethyl]sulfanylpiperidin-3-ylidene]acetic acid;hydrochloride
Related CAS	1287383-06-5 (unlabelled)
Canonical SMILES	COC1=CC=CC(=C1)C(=O)CSC2CCN(CC2=CC(=O)O)C(C3=CC=CC=C3F)C(=O)C4CC4.Cl
InChI	InChI=1S/C27H28FNO5S.ClH/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);1H/b19-14-;/i4+1,5+1,6+1,13+1,18+1,20+1;
InChI Key	IXPJVHUXCREIQM-YYSRUWJTSA-N
Purity	≥98%; ≥99% atom 13C
Appearance	Yellow Powder
Storage	Store at -20°C