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Thiocolchicoside-[d3]

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General Information
Catalog: BLP-006026
Molecular Formula: C27H30D3NO10S
Molecular Weight: 566.64

Chemical Structure

Description	A labelled GABA receptor antagonist that is prescribed as a muscle relaxant having analgesic effects.
Synonyms	N-[(7S)-3-(β-D-Glucopyranosyloxy)-5,6,7,9-tetrahydro-1,2-dimethoxy-10-(methylthio)-9-oxobenzo[a]heptalen-7-yl]acetamide-d3; (S)-N-[3-(β-D-Glucopyranosyloxy)-5,6,7,9-tetrahydro-1,2-dimethoxy-10-(methylthio)-9-oxobenzo[a]heptalen-7-yl]acetamide-d3; Coltramyl-d3; Coltrax-d3; Miorel-d3; NSC 147755-d3
IUPAC Name	2,2,2-trideuterio-N-[(7S)-1,2-dimethoxy-10-methylsulfanyl-9-oxo-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide
Related CAS	602-41-5 (unlabelled)
Canonical SMILES	CC(=O)NC1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)SC)OC)OC)OC4C(C(C(C(O4)CO)O)O)O
InChI	InChI=1S/C27H33NO10S/c1-12(30)28-16-7-5-13-9-18(37-27-24(34)23(33)22(32)19(11-29)38-27)25(35-2)26(36-3)21(13)14-6-8-20(39-4)17(31)10-15(14)16/h6,8-10,16,19,22-24,27,29,32-34H,5,7,11H2,1-4H3,(H,28,30)/t16-,19+,22+,23-,24+,27+/m0/s1/i1D3
InChI Key	LEQAKWQJCITZNK-ASKLJRATSA-N
Boiling Point	929.6±65.0°C at 760 mmHg
Melting Point	190-198°C
Purity	>98%
Density	1.5±0.1 g/cm3
Storage	Store at 2-8°C