Thiocolchicoside

CAS

602-41-5

Catalog Number

ACM602415

Category

Other Products

Molecular Weight

563.62

Molecular Formula

C27H33NO10S

MSDS COA Spec Sheet

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Specification

Synonyms

10-Thiocolchicoside

IUPAC Name

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

Canonical SMILES

CC(=O)N[C@H]1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)SC)OC)OC)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](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

InChI Key

LEQAKWQJCITZNK-AXHKHJLKSA-N

Boiling Point

929.6±65.0 °C

Melting Point

190-198 °C

Appearance

White powder

pKa

12.74±0.70

What is the molecular formula of thiocolchicoside?

The molecular formula of thiocolchicoside is C27H33NO10S.

What is the molecular weight of thiocolchicoside?

The molecular weight of thiocolchicoside is 563.6 g/mol.

What are the synonyms of thiocolchicoside?

The synonyms of thiocolchicoside include Coltramyl, Musco-ril, Coltrax, and more.

What is the IUPAC name of thiocolchicoside?

The IUPAC name of thiocolchicoside is 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.

What is the InChIKey of thiocolchicoside?

The InChIKey of thiocolchicoside is LEQAKWQJCITZNK-AXHKHJLKSA-N.

What is the canonical SMILES of thiocolchicoside?

The canonical SMILES of thiocolchicoside is 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.

What is the CAS number of thiocolchicoside?

The CAS number of thiocolchicoside is 602-41-5.

What is the UNII of thiocolchicoside?

The UNII of thiocolchicoside is T1X8S697GT.

What is the ChEMBL ID of thiocolchicoside?

The ChEMBL ID of thiocolchicoside is CHEMBL213907.

What is the Wikipedia page of thiocolchicoside?

The Wikipedia page of thiocolchicoside can be found at "Thiocolchicoside".