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3-Demethyl Thiocolchicine-[d3]

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General Information
Catalog: BLP-012843
CAS: 1246818-03-0
Molecular Formula: C21H20D3NO5S
Molecular Weight: 404.49

Chemical Structure

Description	3-Demethyl Thiocolchicine-[d3] is the labelled analogue of 3-Demethyl Thiocolchicine, which is a metabolite of Colchicine. Colchicine is a medication used for the treatment of gout.
Synonyms	3-Demethyl Thiocolchicine D3; N-[(7S)-5,6,7,9-Tetrahydro-3-hydroxy-1,2-dimethoxy-10-(methylthio)-9-oxobenzo[a]heptalen-7-yl]acetamide-d3; 2-Demethylthio-colchicine-d3; 3-Demethylthiocolchicine-d3; 3-Desmethylthiocolchicine-d3; 3-O-Demethylthiocolchicine-d3; NSC 361792-d3
IUPAC Name	2,2,2-trideuterio-N-[(7S)-3-hydroxy-1,2-dimethoxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide
Related CAS	87424-25-7 (unlabelled)
Canonical SMILES	CC(=O)NC1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)SC)OC)OC)O
InChI	InChI=1S/C21H23NO5S/c1-11(23)22-15-7-5-12-9-17(25)20(26-2)21(27-3)19(12)13-6-8-18(28-4)16(24)10-14(13)15/h6,8-10,15,25H,5,7H2,1-4H3,(H,22,23)/t15-/m0/s1/i1D3
InChI Key	PKYOHQGXPPVIGD-VSLDJYOXSA-N
Melting Point	>246°C (dec.)
Purity	>95%
Solubility	Soluble in DMSO, Methanol
Appearance	Yellow Solid
Storage	Store at 2-8°C