3-Demethyl Thiocolchicine 3-O-β-D-Glucuronide
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3-Demethyl Thiocolchicine 3-O-β-D-Glucuronide
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CAS No:
819802-34-1
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Formula:
C27H31NO11S
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Chemical Name:
3-Demethyl Thiocolchicine 3-O-β-D-Glucuronide
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Synonyms:
UNII-05G7L63OGQ;05G7L63OGQ;SCHEMBL2885329;ZINC14127868;Deglycosylated thiocolchicoside glucuronide;(7S)-7-(Acetylamino)-5,6,7,9-tetrahydro-1,2-dimethoxy-10-(methylthio)-9-oxobenzo(a)heptalen-3-yl beta-D-glucopyranosiduronic acid;beta-D-Glucopyranosiduronic acid, (7S)-7-(acetylamino)-5,6,7,9-tetrahydro-1,2-dimethoxy-10-(methylthio)-9-oxobenzo(a)heptalen-3-yl
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CAS No:
Characteristics
206
-0.1
1.51±0.1 g/cm3(Predicted)
>234°C (dec.)
Hygroscopic, -20°C Freezer, Under Inert Atmosphere
3-Demethyl Thiocolchicine 3-O-β-D-Glucuronide Use and Manufacturing
The major metabolite of Thiocolchicoside (TCC), a muscle relaxant drug.
Computed Properties
Molecular Weight:577.6
XLogP3:-0.1
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:12
Rotatable Bond Count:7
Exact Mass:577.16178198
Monoisotopic Mass:577.16178198
Topological Polar Surface Area:206
Heavy Atom Count:40
Complexity:1090
Defined Atom Stereocenter Count:6
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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3-Demethyl Thiocolchicine 3-O-β-D-Glucuronide
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