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Screening compounds

Coptisine

Also known as bis[methylenedioxy]protoberberine, YHL II, 5,7,17,19-tetraoxa-13-azoniahexacyclo[11.11.0.02,10.04,8.015,23.016,20]tetracosa-1(13),2,4(8),9,14,16(20),21,23-octaene

CAS 3486-66-6Formula C19H14NO4+Molar mass 320.32 g/mol
1 supplier listed
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Coptisine chemical structure, C19H14NO4+, CAS 3486-66-6
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
3486-66-6
Formula
C19H14NO4+
Molar mass
320.32 g/mol
HS code
293499
Category
Screening compounds

What is Coptisine?

Plain description, key identifiers and synonyms

Coptisine is a natural product found in Coptis japonica. It has a role as a metabolite.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
5,7,17,19-tetraoxa-13-azoniahexacyclo[11.11.0.02,10.04,8.015,23.016,20]tetracosa-1(13),2,4(8),9,14,16(20),21,23-octaene
CAS number
3486-66-6 CAS number cross-checkedOther or deprecated CAS: 1198398-71-8
Molecular formula
C19H14NO4+
UNII
0GCL71VN14
InChIKey
XYHOBCMEDLZUMP-UHFFFAOYSA-N
InChI
InChI=1S/C19H14NO4/c1-2-16-19(24-10-21-16)14-8-20-4-3-12-6-17-18(23-9-22-17)7-13(12)15(20)5-11(1)14/h1-2,5-8H,3-4,9-10H2/q+1
SMILES (canonical and isomeric)
C1C[N+]2=C(C=C3C=CC4=C(C3=C2)OCO4)C5=CC6=C(C=C51)OCO6

Synonyms

  • bis[methylenedioxy]protoberberine
  • YHL II
  • 5,7,17,19-tetraoxa-13-azoniahexacyclo[11.11.0.02,10.04,8.015,23.016,20]tetracosa-1(13),2,4(8),9,14,16(20),21,23-octaene
  • 7,8,13,13a-Tetradehydro-2,3-9,10-bis(methylenedioxy)berbinium
  • Bis(1,3)benzodioxolo(5,6-a:4',5'-g)quinolizinium, 6,7-dihydro-
  • Bis[1,3]benzodioxolo[5,6-a:4',5'-g]quinolizinium, 6,7-dihydro-
  • Bis(methylenedioxy)protoberberine
  • 5,7,17,19-tetraoxa-13-azoniahexacyclo(11.11.0.02,10.04,8.015,23.016,20)tetracosa-1(13),2,4(8),9,14,16(20),21,23-octaene
  • Coptisine sulfate
  • Coptisin
  • 6,7-Dihydro-[1,3]dioxolo[4',5':7,8]isoquinolino[3,2-a][1,3]dioxolo[4,5-g]isoquinolin-5-ium
  • 6,7-Dihydro[1,3]dioxolo[4,5-G][1,3]dioxolo[7,8]isoquino[3,2-A]isoquinolin-5-Ium
  • C19H14NO4+
  • 7,8,13,13a-tetradehydro-2,3:9,10-bismethylenedioxyberbinium
  • Berbinium, 7,8,13,13a-tetradehydro-2,3:9,10-bis(methylenedioxy)-
  • Alkaloid a, from coptis groenlandica
  • 6,7-Dihydrobis(1,3)benzodioxolo(5,6-a:4',5'-g)quinolizinium
  • 6,7-Dihydro-2H,10H-[1,3]dioxolo[4,5-g][1,3]dioxolo[7,8]isoquinolino[3,2-a]isoquinolin-5-ium

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
320.32 g/molcalc.
Exact mass
320.0917 Dacalc.
LogP (octanol/water)
2.81calc.
Topological polar surface area
40.8 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
4calc.
Rotatable bonds
0calc.
Heavy atoms
24calc.
Rings
6calc.
Aromatic rings
3calc.
Fraction sp3 carbons
0.21calc.
Formal charge
1calc.
Stereocentres
0calc.
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, c1c2c(cc3c1OCO3)-c1cc3ccc4c(c3c[n+]1CC2)OCO4

c1c2c(cc3c1OCO3)-c1cc3ccc4c(c3c[n+]1CC2)OCO4

6 rings, 24 atoms. This chemical is the scaffold itself.

7 other chemicals share 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.

Coptisine suppliers

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

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  • ChemFaces
    China, WuhanUnclaimed profile
    CoptisineGrade, purity and minimum order on request
    Price on request
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Where suppliers are based

1 supplier in 1 country

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Coptisine price

Indicative price range per kg from live supplier offers

No published prices right now

Suppliers quote this chemical on request. Send one free request and compare quotes side by side.

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Uses and applications

What the substance is used for, by industry and function

Traditional medicine.

Roles

  • metabolite

How it is made

From root of Coptis japonica Makino, Ranunculaceae.

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 Coptisine is traded under.

HS 2934.99Indicative HS code

Nucleic acids and their salts, other heterocyclic compounds, not elsewhere classified in heading 2934

World exports in 2024
$26.7B
+15.0% vs 2023, imports $26.3B
2019 to 2024
Top exporters
  1. Ireland26.3%
  2. China15.7%
  3. Singapore10.3%
Top importers
  1. United States24.5%
  2. Germany23.1%
  3. Japan4.5%
Reported customs values in USD, not prices.Full trade data

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

Frequently asked questions

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

What is Coptisine?

Coptisine is a natural product found in Coptis japonica. It has a role as a metabolite.

What is the CAS number of Coptisine?

The CAS registry number of Coptisine is 3486-66-6. Other or deprecated CAS numbers: 1198398-71-8.

What is the molecular formula and weight of Coptisine?

The molecular formula of Coptisine is C19H14NO4+ and its molar mass is 320.32 g/mol.

What is Coptisine used for?

Traditional medicine.

Is Coptisine hazardous?

No GHS hazard classification for Coptisine 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 Coptisine?

Coptisine is usually classified under HS code 293499 (Nucleic acids and their salts, whether or not chemically defined, other heterocyclic…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Coptisine?

CompoundList lists 1 supplier of Coptisine in China. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

What is the price of Coptisine?

Suppliers quote Coptisine 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 Coptisine

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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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