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3-Desmethylthiocolchicine-[13C2,d6]

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General Information
Catalog: BLP-002716
Molecular Formula: C21[13C]2H17D6NO5S
Molecular Weight: 409.50

Chemical Structure

Description	3-Desmethylthiocolchicine-[13C2,d6] is the labelled analogue of 3-Demethyl Thiocolchicine. 3-Demethyl Thiocolchicine is a Thiocolchicine metabolite, used in therapy as an antitunor, antiinflammatory and immunosuppressive agent.
Synonyms	3-Desmethylthiocolchicine-13C2,D6; N-[3-[(Diethylamino)methyl]-4-hydroxyphenyl]acetamide-13C2,d6; α-(Diethylamino)-4'-hydroxy-m-acetotoluidide-13C2,d6; 4-Acetamido-2-[(diethylamino)methyl]phenol-13C2,d6
IUPAC Name	N-((7S)-3-hydroxy-1,2-dimethoxy-10-(methylthio)-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl-12a,12b-13C2-5,6,8-d3)acetamide-2,2,2-d3
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/i1D3,5D,7D,10D,13+1,19+1/t5?,7?,15-
InChI Key	PKYOHQGXPPVIGD-MBHDSNHPSA-N
Purity	98%