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3-Demethyl Thiocolchicine-3-Glucuronide-[d3]

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General Information
Catalog: BLP-002707
Molecular Formula: C27H28D3NO11S
Molecular Weight: 580.62

Chemical Structure

Description	3-Demethyl Thiocolchicine-3-Glucuronide-[d3] is the labelled analogue of 3-Demethyl Thiocolchicine-3-Glucuronide, which is a metabolite of Thiocolchicoside. Thiocolchicoside acts as a GABAA receptor antagonist exhibiting anti-inflammatory and analgesic activity. It is used as a muscle relaxant.
Synonyms	3-Demethyl Thiocolchicine-3-Glucuronide D3; 3-Demethyl Thiocolchicine-d3 3-O-β-D-Glucuronide; (7S)-7-(Acetylamino-d3)-5,6,7,9-tetrahydro-1,2-dimethoxy-10-(methylthio)-9-oxobenzo[a]heptalen-3-yl β-D-Glucopyranosiduronic Acid
IUPAC Name	(2R,3R,4R,5S,6R)-6-[[(7S)-1,2-dimethoxy-10-methylsulfanyl-9-oxo-7-[(2,2,2-trideuterioacetyl)amino]-6,7-dihydro-5H-benzo[a]heptalen-3-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
Related CAS	819802-34-1 (unlabelled)
Canonical SMILES	CC(=O)NC1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)SC)OC)OC)OC4C(C(C(C(O4)C(=O)O)O)O)O
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/i1D3
InChI Key	JJEHAQVFBUIDIV-GLXNWAALSA-N
Melting Point	182-184 °C (dec.)
Purity	96%; > 98% atom D
Solubility	Slightly soluble in DMSO, Methanol
Appearance	Light Yellow to Yellow Solid
Storage	-20 °C under inert atmosphere