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

CAS : 819802-34-1

Ref. TR-D231335

Informations sur le produit

• Nom: 3-Demethyl Thiocolchicine 3-O-β-D-Glucuronide
• Synonymes: ß-D-Glucopyranosiduronic acid, (7S)-7-(acetylamino)-5,6,7,9-tetrahydro-1,2-dimethoxy-10-(methylthio)-9-oxobenzo[a]heptalen-3-yl, (7S)-7-(Acetylamino)-5,6,7,9-tetrahydro-1,2-dimethoxy-10-(methylthio)-9-oxobenzo[a]heptalen-3-yl ß-D-glucopyranosiduronic acid, 3-Demethyl thiocolchicine 3-O-ß-D-glucuronide, 3-Desmethylthiocolchicine-3-O-D-glucuronide, 3-(O-Demethyl)thiocolchicine 3-O-ß-D-Glucuronide

Description

Stability Hygroscopic
Applications The major metabolite of Thiocolchicoside (TCC), a muscle relaxant drug.
References 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),

• Marque: TRC

Propriétés chimiques

• Masse moléculaire: 577.60
• Formule: C₂₇H₃₁NO₁₁S
• Couleur/Forme: 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+/m0/s1
• Code InChI: InChIKey=JJEHAQVFBUIDIV-BVLXLYFTSA-N
• SMILES: COc1c(O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)cc2c(c1OC)-c1ccc(SC)c(=O)cc1[C@@H](NC(C)=O)CC2