3-Demethyl Thiocolchicine-d3 3-O-β-D-Glucuronide

CAS: 819802-34-1

Ref. TR-D231337

Product Information

• Name: 3-Demethyl Thiocolchicine-d3 3-O-β-D-Glucuronide
• Synonyms: 7S)-7-(Acetylamino-d3)-5,6,7,9-tetrahydro-1,2-dimethoxy-10-(methylthio)-9-oxobenzo[a]heptalen-3-yl β-D-Glucopyranosiduronic Acid
• Brand: TRC
• Description: Applications The major labelled metabolite of Thiocolchicoside (TCC), a muscle relaxant drug. Not a dangerous good if item is equal to or less than 1g/ml and there is less than 100g/ml in the packageReferences Sandouk, P., et al.: Biopharm. Drug Dispos., 15, 87 (1994), Perucca, E., et al.: Eur. J. Drug Metab. Pharmacokinet., 20, 301 (1995), Advokat, C., et al.: Pharmacol. Biochem. Behav., 63, 527 (1999),

Chemical properties

• Molecular weight: 580.62
• Formula: C₂₇H₂₈D₃NO₁₁S
• Color/Form: Neat
• InChI: InChI=1S/C27H31NO11S/c1-11(29)28-15-7-5-12-9-17(38-27-22(33)20(31)21(32)25(39-27)26(34)35)23(36-2)24(37-3)19(12)13-6-8-18(40-4)16(30)10-14(13)15/h6,8-10,15,20-22,25,27,31-33H,5,7H2,1-4H3,(H,28,29)(H,34,35)/t15-,20+,21+,22-,25+,27-/m1/s1/i1D3
• InChI key: InChIKey=JJEHAQVFBUIDIV-PCEAZJRQSA-N
• SMILES: [2H]C([2H])([2H])C(=O)N[C@@H]1CCc2cc(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O)c(OC)c(OC)c2-c2ccc(SC)c(=O)cc21