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Screening compounds

Demecolcinone

Also known as (2R)-8-hydroxy-10,15-dimethoxy-4-methyl-5-azapentacyclo[10.5.0.02,5.04,6.06,11]heptadeca-1(17),7,10,12,14-pentaene-9,16-dione, (2R)-8-hydroxy-10,15-dimethoxy-4-methyl-5-azapentacyclo(10.5.0.02,5.04,6.06,11)heptadeca-1(17),7,10,12,14-pentaene-9,16-dione

CAS 847849-48-3Formula C19H17NO5Molar mass 339.35 g/mol
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Demecolcinone chemical structure, C19H17NO5, CAS 847849-48-3
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
847849-48-3
Formula
C19H17NO5
Molar mass
339.35 g/mol
HS code
293399
Category
Screening compounds

What is Demecolcinone?

Plain description, key identifiers and synonyms

Demecolcinone is a chemical substance with the molecular formula C19H17NO5 and a molar mass of 339.35 g/mol. Its CAS registry number is 847849-48-3. The IUPAC name is (2R)-8-hydroxy-10,15-dimethoxy-4-methyl-5-azapentacyclo[10.5.0.02,5.04,6.06,11]heptadeca-1(17),7,10,12,14-pentaene-9,16-dione.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(2R)-8-hydroxy-10,15-dimethoxy-4-methyl-5-azapentacyclo[10.5.0.02,5.04,6.06,11]heptadeca-1(17),7,10,12,14-pentaene-9,16-dione
CAS number
847849-48-3
Molecular formula
C19H17NO5
InChIKey
JHQXILBWKAUJFN-VGENCSJCSA-N
InChI
InChI=1S/C19H17NO5/c1-18-7-11-10-6-12(21)14(24-2)5-4-9(10)15-17(25-3)16(23)13(22)8-19(15,18)20(11)18/h4-6,8,11,22H,7H2,1-3H3/t11-,18?,19?,20?/m1/s1
Canonical SMILES
COC1=C2c3ccc(OC)c(=O)cc3C3CC4(C)N3C24C=C(O)C1=O
Isomeric SMILES
CC12C[C@H]3N1C24C=C(C(=O)C(=C4C5=CC=C(C(=O)C=C35)OC)OC)O

Synonyms

  • (2R)-8-hydroxy-10,15-dimethoxy-4-methyl-5-azapentacyclo[10.5.0.02,5.04,6.06,11]heptadeca-1(17),7,10,12,14-pentaene-9,16-dione
  • (2R)-8-hydroxy-10,15-dimethoxy-4-methyl-5-azapentacyclo(10.5.0.02,5.04,6.06,11)heptadeca-1(17),7,10,12,14-pentaene-9,16-dione

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
339.35 g/molcalc.
Exact mass
339.1107 Dacalc.
LogP (octanol/water)
1.71calc.
Topological polar surface area
75.84 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
6calc.
Rotatable bonds
2calc.
Heavy atoms
25calc.
Rings
5calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.37calc.
Formal charge
0calc.
Stereocentres
4calc.
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=C1C=CC23C(=C1)c1cccc(=O)cc1C1CC2N13

O=C1C=CC23C(=C1)c1cccc(=O)cc1C1CC2N13

5 rings, 19 atoms.

No other chemical in our database has this scaffold.

Safety and hazards

GHS classification summary, not a safety data sheet

No GHS hazard classification is recorded for this substance yet. That does not mean it is harmless.

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

Demecolcinone suppliers

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Demecolcinone 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 Demecolcinone is traded under.

HS 2933.99Indicative HS code

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

World exports in 2024
$12.1B
−31.0% vs 2023, imports $28.8B
2019 to 2024
Top exporters
  1. China30.5%
  2. India * partner reported16.3%
  3. Ireland9.0%
Top importers
  1. Slovenia31.7%
  2. Italy24.2%
  3. United States5.0%

* Partner reported figures, a lower bound.

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

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

Frequently asked questions

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

What is Demecolcinone?

Demecolcinone is a chemical substance with the molecular formula C19H17NO5 and a molar mass of 339.35 g/mol. Its CAS registry number is 847849-48-3. The IUPAC name is (2R)-8-hydroxy-10,15-dimethoxy-4-methyl-5-azapentacyclo[10.5.0.02,5.04,6.06,11]heptadeca-1(17),7,10,12,14-pentaene-9,16-dione.

What is the CAS number of Demecolcinone?

The CAS registry number of Demecolcinone is 847849-48-3.

What is the molecular formula and weight of Demecolcinone?

The molecular formula of Demecolcinone is C19H17NO5 and its molar mass is 339.35 g/mol.

What is Demecolcinone used for?

Known uses and roles of Demecolcinone include building blocks in research and laboratory and screening compounds in research and laboratory.

Is Demecolcinone hazardous?

No GHS hazard classification for Demecolcinone is recorded on CompoundList yet. That does not prove it is safe. Always read the supplier safety data sheet.

What is the HS code of Demecolcinone?

Demecolcinone is usually classified under HS code 293399 (Heterocyclic compounds with nitrogen hetero-atom(s) only, other). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Demecolcinone?

Post a free request on CompoundList and suppliers of Demecolcinone will send you quotes. Your contact details stay private until you accept a quote.

What is the price of Demecolcinone?

Suppliers quote Demecolcinone 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

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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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