β-Methyl Digoxin

CAS: 30685-43-9

Ref. TR-M301850

Product Information

• Name: β-Methyl Digoxin
• Synonyms: Card-20(22)-enolide, 3-[(O-2,6-dideoxy-4-O-methyl-β-D-ribo-hexopyranosyl-(1→4)-O-2,6-dideoxy-β-D-ribo-hexopyranosyl-(1→4)-2,6-dideoxy-β-D-ribo-hexopyranosyl)oxy]-12,14-dihydroxy-, (3β,5β,12β)-, Digoxin, 4'''-O-methyl- (8CI), (3β,5β,12β)-3-[(O-2,6-Dideoxy-4-O-methyl-β-D-ribo-hexopyranosyl-(1→4)-O-2,6-dideoxy-β-D-ribo-hexopyranosyl-(1→4)-2,6-dideoxy-β-D-ribo-hexopyranosyl)oxy]-12,14-dihydroxycard-20(22)-enolide, 4'''-Methyldigoxin, 4'''-O-Methyldigoxin, 4'''-β-Methyldigoxin, Lanirapid, Lanitop, Medigoxin, Methyldigoxin, Metildigoxin
• Brand: TRC
• Description: Applications Cardiotonic. Obtained by the O-methylation of Digoxin. Not a dangerous good if item is equal to or less than 1g/ml and there is less than 100g/ml in the packageReferences Hunter, J., et al.: J. Biol. Chem., 268, 14991 (1993), Greiner, B., et al.: J. Clin. Invest., 104, 147 (1999), Jun, A., et al.: J. Pharm.Pharm. Sci., 4, 263 (2001), Sugiyama, D., et al.: Drug Metab. Dispos., 30, 220 (2002),

Chemical properties

• Molecular weight: 794.97
• Formula: C₄₂H₆₆O₁₄
• Color/Form: Neat
• InChI: InChI=1S/C42H66O14/c1-20-37(49-6)29(43)16-35(51-20)55-39-22(3)53-36(18-31(39)45)56-38-21(2)52-34(17-30(38)44)54-25-9-11-40(4)24(14-25)7-8-27-28(40)15-32(46)41(5)26(10-12-42(27,41)48)23-13-33(47)50-19-23/h13,20-22,24-32,34-39,43-46,48H,7-12,14-19H2,1-6H3/t20-,21-,22-,24-,25+,26-,27-,28+,29+,30+,31+,32-,34+,35+,36+,37-,38-,39-,40+,41+,42+/m1/s1
• InChI key: InChIKey=IYJMSDVSVHDVGT-PEQKVOOWSA-N
• SMILES: CO[C@H]1[C@@H](O)C[C@H](O[C@H]2[C@@H](O)C[C@H](O[C@H]3[C@@H](O)C[C@H](O[C@H]4CC[C@]5(C)[C@H]6C[C@@H](O)[C@]7(C)[C@@H](C8=CC(=O)OC8)CC[C@]7(O)[C@@H]6CC[C@@H]5C4)O[C@@H]3C)O[C@@H]2C)O[C@@H]1C