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Thiocolchicoside chemical structure, C27H33NO10S, CAS 602-41-5
2D chemical structure

Key facts

What buyers check first

CAS number
602-41-5
Formula
C27H33NO10S
Molar mass
563.63 g/mol
EC number
210-017-7
HS code
293299
Category
Screening compounds

What is Thiocolchicoside?

Plain description, key identifiers and synonyms

N-[(7S)-1,2-dimethoxy-10-(methylthio)-9-oxo-3-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide is a glycoside.

Identifiers

Registry numbers, names and line notations, tap to copy

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
CAS number
602-41-5 CAS number cross-checked
EC number
210-017-7
Molecular formula
C27H33NO10S
UNII
T1X8S697GT
MDL number
MFCD07995056
InChIKey
LEQAKWQJCITZNK-AXHKHJLKSA-N
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
Canonical SMILES
COc1c(OC2OC(CO)C(O)C(O)C2O)cc2c(c1OC)-c1ccc(SC)c(=O)cc1C(NC(C)=O)CC2
Isomeric 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

Synonyms

  • Coltramyl
  • Miorel
  • Musco-ril
  • Tiocolchicosido
  • Coltrax
  • Tiocolchicoside
  • Thiocolchicosidum
  • 2-10-Di(demethoxy)-2-glucosyloxy-10-methylthiocolchicine
  • 2,14-di-(demethoxy)-2-glucosidoxy-14-methylthiocolchicine
  • 10-Thiocolchicoside
  • Thiocolchicoside (INN)
  • Colchicoside, 10-thio-
  • 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
  • Coltramyl (TN)
  • Thiocolchicoside (Standard)
  • Thiocolchicoside hydrate CRS
  • Thiocolchicoside, >=98% (HPLC)
  • Acetamide, N-(3-(beta-D-glucopyranosyloxy)-5,6,7,9-tetrahydro-1,2-dimethoxy-10-(methylthio)-9-oxobenzo(a)heptalen-7-yl)-, (S)-
  • Thiocolchicoside for system suitability CRS
  • Thiocolchicoside crystallised from ethanol CRS
  • Thiocolchicoside crystallised from ethanol, EuropePharmacopoeia (EP) Reference Standard
  • Thiocolchicoside for system suitability, EuropePharmacopoeia (EP) Reference Standard
  • N-[(7S)-1,2-dimethoxy-10-(methylthio)-9-oxo-3-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide
  • N-[(7S)-3-(?-D-Glucopyranosyloxy)-5,6,7,9-tetrahydro-1,2-dimethoxy-10-(methylthio)-9-oxobenzo[a]heptalen-7-yl]acetamide
  • N-[(7S)-3-(beta-D-Glucopyranosyloxy)-1,2-dimethoxy-10-(methylsulfanyl)-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl]acetamide

Physical and chemical properties

Measured values and descriptors computed from the structure

Physical and chemical properties

Measured values, check the supplier specification for your grade

No measured properties are recorded for this substance yet. Ask suppliers for a technical data sheet.

Values vary by grade. Ask suppliers for the COA or TDS of the batch you buy.

Computed descriptors

Calculated from the structure, useful for screening and formulation

Molecular weight
563.63 g/molcalc.
Exact mass
563.1825 Dacalc.
LogP (octanol/water)
0.75calc.
Topological polar surface area
164 Ųcalc.
Hydrogen bond donors
5calc.
Hydrogen bond acceptors
11calc.
Rotatable bonds
7calc.
Heavy atoms
39calc.
Rings
4calc.
Aromatic rings
2calc.
Fraction sp3 carbons
0.48calc.
Formal charge
0calc.
Stereocentres
6calc.
Lipinski rule of five
Fails (2 violations)calc.

Calculated for screening. Confirm critical figures with the supplier.

Murcko scaffold

The ring system that remains when every side chain is removed

Murcko scaffold of this chemical, O=c1cccc2c(c1)CCCc1cc(OC3CCCCO3)ccc1-2

O=c1cccc2c(c1)CCCc1cc(OC3CCCCO3)ccc1-2

4 rings, 24 atoms.

13 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

GHS signal word
Danger
GHS06: Acute toxicity (severe)
Acute toxicity (severe)
GHS07: Harmful or irritant
Harmful or irritant
GHS08: Serious health hazard
Serious health hazard

Hazard statements

  • H301Toxic if swallowed.
  • H315Causes skin irritation.
  • H335May cause respiratory irritation.
  • H361dSuspected of damaging the unborn child.
  • H362May cause harm to breast-fed children.
  • H372Causes damage to organs through prolonged or repeated exposure.
Precautionary statements (20)
  • P203Obtain, read and follow all safety instructions before use.
  • P260Do not breathe dust, fume, gas, mist, vapours or spray.
  • P261Avoid breathing dust, fume, gas, mist, vapours or spray.
  • P263Avoid contact during pregnancy and while nursing.
  • P264Wash skin thoroughly after handling.
  • P270Do not eat, drink or smoke when using this product.
  • P271Use only outdoors or in a well-ventilated area.
  • P280Wear protective gloves, protective clothing, eye protection and face protection.
  • P301 + P316If swallowed: Get emergency medical help immediately.
  • P302 + P352If on skin: Wash with plenty of water.
  • P304 + P340If inhaled: Remove person to fresh air and keep comfortable for breathing.
  • P318If exposed or concerned, get medical advice.
  • P319Get medical help if you feel unwell.
  • P321Specific treatment (see supplemental first aid instructions on the label).
  • P330Rinse mouth.
  • P332 + P317If skin irritation occurs: Get medical help.
  • P362 + P364Take off contaminated clothing. And wash it before reuse.
  • P403 + P233Store in a well-ventilated place. Keep container tightly closed.
  • P405Store locked up.
  • P501Dispose of contents and container in accordance with local regulations.

GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.

Full safety data and first aid

Thiocolchicoside suppliers

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Thiocolchicoside price

Indicative price range per kg from live supplier offers

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Uses and applications

What the substance is used for, by industry and function

Regulatory status

Inventories, regulations and trade controls that list this substance

No regulatory list memberships are recorded for this substance yet. Always check the rules of the importing and exporting country before trade.

HS code and trade data

Customs classification and reported world trade statistics

Global trade

World import and export statistics for the HS code Thiocolchicoside is traded under.

HS 2932.99Indicative HS code

Heterocyclic compounds with oxygen hetero-atom(s) only, other

World exports in 2024
$3.81B
+10.3% vs 2023, imports $7.05B
2019 to 2024
Top exporters
  1. China28.9%
  2. Switzerland * partner reported12.7%
  3. Germany7.8%
Top importers
  1. United States49.7%
  2. China11.9%
  3. India * partner reported3.3%

* Partner reported figures, a lower bound.

Reported customs values in USD, not prices.Full trade data

The HS code shown for Thiocolchicoside is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Thiocolchicoside, based on the data on this page

What is Thiocolchicoside?

N-[(7S)-1,2-dimethoxy-10-(methylthio)-9-oxo-3-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide is a glycoside.

What is the CAS number of Thiocolchicoside?

The CAS registry number of Thiocolchicoside is 602-41-5.

What is the molecular formula and weight of Thiocolchicoside?

The molecular formula of Thiocolchicoside is C27H33NO10S and its molar mass is 563.63 g/mol.

What is Thiocolchicoside used for?

Known uses and roles of Thiocolchicoside include building blocks in research and laboratory, screening compounds in research and laboratory, analgesic and pharmaceutical.

Is Thiocolchicoside hazardous?

Thiocolchicoside carries the GHS signal word "Danger". Main hazards: toxic if swallowed, causes skin irritation, may cause respiratory irritation. This summary is not an SDS, always read the supplier safety data sheet.

What is the HS code of Thiocolchicoside?

Thiocolchicoside is usually classified under HS code 293299 (Heterocyclic compounds with oxygen hetero-atom(s) only, other). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Thiocolchicoside?

CompoundList lists 36 suppliers of Thiocolchicoside in India, China, United States, Switzerland and 4 more. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

Where can I buy Thiocolchicoside in India?

21 suppliers in India list Thiocolchicoside on CompoundList. Filter the suppliers list by country and send a request to compare prices, grades and delivery times.

What is the price of Thiocolchicoside?

Suppliers quote Thiocolchicoside on request because prices depend on grade, purity, quantity and destination. A free request on CompoundList gets you several quotes to compare.

Guides for buyers

Practical guides that help when you source, ship or handle Thiocolchicoside

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Data last updated 7 Oct 2026. Details may have changed, please confirm them with the supplier. Report an error on this page
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