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3-Demethyl Thiocolchicine 3-O-Beta-D-Glucuronide

Product Code

TRC-D231335-5MG

CAS Number

819802-34-1

Product Format

Neat

Molecular Formula

C27 H31 N O11 S

Molecular Weight

577.60

API Family

Thiocolchicoside

Product Categories

TRC, Additional endogenous metabolites

Product Type

Metabolite, API

HPLC Purity

>95%

Drug Type

Skeletal Muscle Relaxants (non-Benzodiazepine)

Price and availability

48-hour USA dispatch time
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Product Information

Chemical Data

Analyte Name

3-(O-Demethyl)thiocolchicine 3-O-beta-D-Glucuronide

CAS Number

819802-34-1

Molecular Formula

C27 H31 N O11 S

Molecular Weight

577.60

Accurate Mass

577.1618

SMILES

COc1c(O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(=O)O)cc3CC[C@H](NC(=O)C)C4=CC(=O)C(=CC=C4c3c1OC)SC

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

IUPAC

(2S,3S,4S,5R,6S)-6-[[(7S)-7-acetamido-1,2-dimethoxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-3-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid

Product Data

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

API; Metabolite

Product Format

Neat

API Family

Thiocolchicoside

HPLC Purity

>95%

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