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Edoxaban-[d6]

General Information
Catalog: BLP-012333
CAS: 1304701-57-2
Molecular Formula: C24H24D6ClN7O4S
Molecular Weight: 554.09
Chemical Structure
Edoxaban-[d6]
Description Edoxaban-[d6] is the isotope labelled analog of Edoxaban. Edoxaban is an anticoagulant drug for the treatment of stroke.
Synonyms Edoxaban D6
IUPAC Name N-[(1S,2R,4S)-4-[bis(trideuteriomethyl)carbamoyl]-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]cyclohexyl]-N'-(5-chloropyridin-2-yl)oxamide
Related CAS 480449-70-5 (unlabelled)
Canonical SMILES CN1CCC2=C(C1)SC(=N2)C(=O)NC3CC(CCC3NC(=O)C(=O)NC4=NC=C(C=C4)Cl)C(=O)N(C)C
InChI InChI=1S/C24H30ClN7O4S/c1-31(2)24(36)13-4-6-15(27-20(33)21(34)30-19-7-5-14(25)11-26-19)17(10-13)28-22(35)23-29-16-8-9-32(3)12-18(16)37-23/h5,7,11,13,15,17H,4,6,8-10,12H2,1-3H3,(H,27,33)(H,28,35)(H,26,30,34)/t13-,15-,17+/m0/s1/i1D3,2D3
InChI Key HGVDHZBSSITLCT-KUPMTGFDSA-N
Melting Point >205°C (dec.)
Purity 95% by HPLC; 95% atom D
Density 1.4±0.1 g/cm3
Solubility Soluble in Chloroform, Dichloromethane
Appearance Pale Orange to Pale Red Solid
Storage Store at -20°C

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