3-Demethyl Thiocolchicine 3-O-Beta-D-Glucuronide
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- structure.search.product.name 3-Demethyl Thiocolchicine 3-O-Beta-D-Glucuronide
- Product Code: TRC-D231335-5MG
- CAS Number: 819802-34-1
- Brand: TRC
Product Overview
Product Code
TRC-D231335-5MG
CAS Number
Product Format
Neat
Molecular Formula
C27 H31 N O11 S
Molecular Weight
577.60
API Family
ThiocolchicosideProduct Categories
TRC, Additional endogenous metabolites, API Reference Standards & Research Materials
Drug Type
Skeletal Muscle Relaxants (non-Benzodiazepine)
Documentation
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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
Metabolite; API
Product Format
Neat
API Family
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