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Vorapaxar-[d5] Sulfate

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General Information
Catalog: BLP-007619
Molecular Formula: C29H30D5FN2O8S
Molecular Weight: 595.69

Chemical Structure

Description	A labelled analog of Vorapaxar Sulfate. Vorapaxar, also known as SCH 530348, is a thrombin receptor (protease-activated receptor, PAR-1) antagonist based on the natural product himbacine.
Synonyms	N-[(1R,3aR,4aR,6R,8aR,9S,9aS)-9-[(1E)-2-[5-(3-Fluorophenyl)-2-pyridinyl]ethenyl]dodecahydro-1-methyl-3-oxonaphtho[2,3-c]furan-6-yl]carbamic Acid Ethyl Ester-d5 Sulfate; Sch 530348-d5
IUPAC Name	1,1,2,2,2-pentadeuterioethyl N-[(1R,3aR,4aR,6R,8aR,9S,9aS)-9-[(E)-2-[5-(3-fluorophenyl)pyridin-2-yl]ethenyl]-1-methyl-3-oxo-3a,4,4a,5,6,7,8,8a,9,9a-decahydro-1H-benzo[f][2]benzofuran-6-yl]carbamate;sulfuric acid
Related CAS	705260-08-8 (unlabelled)
Canonical SMILES	CCOC(=O)NC1CCC2C(C1)CC3C(C2C=CC4=NC=C(C=C4)C5=CC(=CC=C5)F)C(OC3=O)C.OS(=O)(=O)O
InChI	InChI=1S/C29H33FN2O4.H2O4S/c1-3-35-29(34)32-23-10-11-24-20(14-23)15-26-27(17(2)36-28(26)33)25(24)12-9-22-8-7-19(16-31-22)18-5-4-6-21(30)13-18;1-5(2,3)4/h4-9,12-13,16-17,20,23-27H,3,10-11,14-15H2,1-2H3,(H,32,34);(H2,1,2,3,4)/b12-9+;/t17-,20+,23-,24-,25+,26-,27+;/m1./s1/i1D3,3D2;
InChI Key	NQRYCIGCIAWEIC-DNYRYAFNSA-N
Purity	>98%