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Demecolcine chemical structure, C21H25NO5, CAS 477-30-5
2D chemical structure

Key facts

What buyers check first

CAS number
477-30-5
Formula
C21H25NO5
Molar mass
371.43 g/mol
EC number
207-514-6
HS code
292229
Category
Screening compounds

What is Demecolcine?

Plain description, key identifiers and synonyms

(-)-demecolcine is a secondary amino compound that is (S)-colchicine in which the N-acetyl group is replaced by an N-methyl group. Isolable from the autumn crocus, Colchicum autumnale, it is less toxic than colchicine and is used as an antineoplastic. It has a role as an antineoplastic agent and a microtubule-destabilising agent. It is an alkaloid and a secondary amino compound.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(7S)-1,2,3,10-tetramethoxy-7-(methylamino)-6,7-dihydro-5H-benzo[a]heptalen-9-one
CAS number
477-30-5 CAS number cross-checked
EC number
207-514-6
Molecular formula
C21H25NO5
UNII
Z01IVE25KI
MDL number
MFCD00075459
InChIKey
NNJPGOLRFBJNIW-HNNXBMFYSA-N
InChI
InChI=1S/C21H25NO5/c1-22-15-8-6-12-10-18(25-3)20(26-4)21(27-5)19(12)13-7-9-17(24-2)16(23)11-14(13)15/h7,9-11,15,22H,6,8H2,1-5H3/t15-/m0/s1
Canonical SMILES
CNC1CCc2cc(OC)c(OC)c(OC)c2-c2ccc(OC)c(=O)cc21
Isomeric SMILES
CN[C@H]1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)OC)OC)OC)OC

Synonyms

  • colcemid
  • Demecolcin
  • Desmecolcine
  • Kolchamin
  • Kolkamin
  • Omaine
  • Omain
  • Santavy's substance F
  • Methylcolchicine
  • Deacetylmethylcolchicine
  • Demecolcina
  • Deacetyl-N-methylcolchicine
  • Desacetylmethylcolchicine
  • Demecolcinum
  • Kolchicin
  • Alkaloid H 3, from colchicum antumnale
  • Ciba 12669A
  • (7S)-1,2,3,10-tetramethoxy-7-(methylamino)-6,7-dihydro-5H-benzo[a]heptalen-9-one
  • Benzo(a)heptalen-9(5H)-one, 6,7-dihydro-1,2,3,10-tetramethoxy-7-(methylamino)-, (S)-
  • (7S)-1,2,3,10-tetramethoxy-7-(methylamino)-6,7-dihydro-5H-benzo(a)heptalen-9-one
  • Benzo[a]heptalen-9(5H)-one, 6,7-dihydro-1,2,3,10-tetramethoxy-7-(methylamino)-, (S)-
  • Colchamine
  • (-)-Demecolcine
  • Colcemide
  • Reichstein's F
Show all 38 synonyms
  • N-Deacetyl-N-methylcolchicine
  • (-)-Colchamine
  • N-Methyl-N-deacetylcolchicine
  • N-Desacetyl-N-methylcolchicine
  • N-Methyl-N-desacetylcolchicine
  • Colchamin
  • N-Desacetylmethylcolchicine
  • Colchicine, N-deacetyl-N-methyl-
  • (S)-1,2,3,10-Tetramethoxy-7-(methylamino)-6,7-dihydrobenzo[a]heptalen-9(5H)-one
  • (7S)-1,2,3,10-tetramethoxy-7-(methylamino)-6,7-dihydrobenzo[a]heptalen-9(5H)-one
  • Colchicine, 7-deacetamido-7-(methylamino)-
  • Ciba 12669 A
  • Colchicine, deacetyl-N-methyl-

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
371.43 g/molcalc.
Exact mass
371.1733 Dacalc.
LogP (octanol/water)
2.95calc.
Topological polar surface area
66.02 ร…ยฒcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
6calc.
Rotatable bonds
5calc.
Heavy atoms
27calc.
Rings
3calc.
Aromatic rings
2calc.
Fraction sp3 carbons
0.38calc.
Formal charge
0calc.
Stereocentres
1calc.
Lipinski rule of five
Passes (0 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)CCCc1ccccc1-2

O=c1cccc2c(c1)CCCc1ccccc1-2

3 rings, 17 atoms.

159 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)

Hazard statements

  • H300Fatal if swallowed.
Precautionary statements (7)
  • P264Wash skin thoroughly after handling.
  • P270Do not eat, drink or smoke when using this product.
  • P301 + P316If swallowed: Get emergency medical help immediately.
  • P321Specific treatment (see supplemental first aid instructions on the label).
  • P330Rinse mouth.
  • 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

Demecolcine suppliers

Sponsored listings first, then the documented ranking: membership, verification, replies, completeness, freshness and ratings

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  • China, HangzhouUnclaimed profile
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  • China, ShanghaiUnclaimed profile
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  • China, NanjingUnclaimed profile
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  • United States, Monmouth JunctionUnclaimed profile
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  • GermanyUnclaimed profile
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  • United States, HoustonUnclaimed profile
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  • Spain, BarcelonaUnclaimed profile
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Demecolcine price

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Uses and applications

What the substance is used for, by industry and function

Pharmacological actions

  • Antineoplastic Agents, Phytogenic
  • Tubulin Modulators

Roles

  • antimitotic
  • antineoplastic agent
  • microtubule-destabilising agent
  • pharmaceutical
  • tubulin modulator

Pharmacology

Demecolcine is a colchicine analog with potential antimitotic and antineoplastic activities. Demecolcine acid binds to the colchicine-binding site of tubulin, inhibiting its polymerization into microtubules, causing cell cycle arrest at metaphase and preventing cell division.

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 Demecolcine is traded under.

HS 2922.29Indicative HS code

Amino-naphthols and other amino-phenols, other than those containing more than one kindโ€ฆ

World exports in 2024
$467M
โˆ’15.3% vs 2023, imports $454M
2019 to 2024
Top exporters
  1. China63.1%
  2. India * partner reported15.5%
  3. Japan4.0%
Top importers
  1. India * partner reported25.8%
  2. United States14.4%
  3. South Korea7.6%

* Partner reported figures, a lower bound.

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

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

Frequently asked questions

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

What is Demecolcine?

(-)-demecolcine is a secondary amino compound that is (S)-colchicine in which the N-acetyl group is replaced by an N-methyl group. Isolable from the autumn crocus, Colchicum autumnale, it is less toxic than colchicine and is used as an antineoplastic.

What is the CAS number of Demecolcine?

The CAS registry number of Demecolcine is 477-30-5.

What is the molecular formula and weight of Demecolcine?

The molecular formula of Demecolcine is C21H25NO5 and its molar mass is 371.43 g/mol.

What is Demecolcine used for?

Known uses and roles of Demecolcine include building blocks in research and laboratory, screening compounds in research and laboratory, antimitotic, antineoplastic agent, microtubule-destabilising agent and 4 more.

Is Demecolcine hazardous?

Demecolcine carries the GHS signal word "Danger". Main hazards: fatal if swallowed. This summary is not an SDS, always read the supplier safety data sheet.

What is the HS code of Demecolcine?

Demecolcine is usually classified under HS code 292229 (Amino-naphthols and other amino-phenols, other than those containing more than one kindโ€ฆ). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Demecolcine?

CompoundList lists 55 suppliers of Demecolcine in United States, China, United Kingdom, Germany and 9 more. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

What is the price of Demecolcine?

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

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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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