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Central nervous system drugs

Opicapone

Also known as ongentys, BIA 9-1067, 2,5-Dichloro-3-(5-(3,4-dihydroxy-5-nitrophenyl)-1,2,4-oxadiazol-3-yl)-4,6-dimethylpyridine 1-oxide

CAS 923287-50-7Formula C15H10Cl2N4O6Molar mass 413.17 g/molEC 810-046-0
GHS signal word: Danger. Pictograms: Flammable 26 suppliers listed Drug substance
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Opicapone chemical structure, C15H10Cl2N4O6, CAS 923287-50-7
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
923287-50-7
Formula
C15H10Cl2N4O6
Molar mass
413.17 g/mol
Physical form
Solid
HS code
293499
Category
Central nervous system drugs
Illustrative photo, a shrink wrapped pallet of kraft paper sacks in a chemical plant
Typical packagingIllustrative packaging image, not the actual product

What is Opicapone?

Plain description, key identifiers and synonyms

Opicapone is a ring assembly and an oxadiazole.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
5-[3-(2,5-dichloro-4,6-dimethyl-1-oxidopyridin-1-ium-3-yl)-1,2,4-oxadiazol-5-yl]-3-nitrobenzene-1,2-diol
CAS number
923287-50-7 CAS number cross-checked
EC number
810-046-0
Molecular formula
C15H10Cl2N4O6
UNII
Y5929UIJ5N
MDL number
MFCD19443745
InChIKey
ASOADIZOVZTJSR-UHFFFAOYSA-N
InChI
InChI=1S/C15H10Cl2N4O6/c1-5-10(13(17)20(24)6(2)11(5)16)14-18-15(27-19-14)7-3-8(21(25)26)12(23)9(22)4-7/h3-4,22-23H,1-2H3
SMILES (canonical and isomeric)
CC1=C(C(=[N+](C(=C1Cl)C)[O-])Cl)C2=NOC(=N2)C3=CC(=C(C(=C3)O)O)[N+](=O)[O-]

Synonyms

  • ongentys
  • BIA 9-1067
  • 2,5-Dichloro-3-(5-(3,4-dihydroxy-5-nitrophenyl)-1,2,4-oxadiazol-3-yl)-4,6-dimethylpyridine 1-oxide
  • Opicapona
  • opicaponum
  • (4Z)-4-(3-(2,5-dichloro-4,6-dimethyl-1-oxidopyridin-1-ium-3-yl)-2H-1,2,4-oxadiazol-5-ylidene)-2-hydroxy-6-nitrocyclohexa-2,5-dien-1-one
  • (4Z)-4-[3-(2,5-dichloro-4,6-dimethyl-1-oxidopyridin-1-ium-3-yl)-2H-1,2,4-oxadiazol-5-ylidene]-2-hydroxy-6-nitrocyclohexa-2,5-dien-1-one
  • 2,5-Dichloro-3-[5-(3,4-dihydroxy-5-nitrophenyl)-1,2,4-oxadiazol-3-yl]-4,6-dimethylpyridine 1-Oxide
  • 1,2-Benzenediol, 5-(3-(2,5-dichloro-4,6-dimethyl-1-oxido-3-pyridinyl)-1,2,4-oxadiazol-5-yl)-3-nitro-
  • 2,5-Dichloro-3-(5-(3,4-dihydroxy-5-nitrophenyl)-1,2,4-oxadiazol-3-yl)-4,6-dimethylpyridine N-oxide
  • 5-[3-(2,5-dichloro-4,6-dimethyl-1-oxidopyridin-1-ium-3-yl)-1,2,4-oxadiazol-5-yl]-3-nitrobenzene-1,2-diol
  • 5-[3-(2,5-Dichloro-4,6-dimethyl-1-oxido-3-pyridinyl)-1,2,4-oxadiazol-5-yl]-3-nitro-1,2-benzenediol
  • compound 37d
  • Ontilyv
  • Opicapone?
  • Opicapone (Standard)
  • 2,5-Dichloro-3-[5-(3,4-dihydroxy-5-nitrophenyl)-1,2,4-oxadiazol-3-yl]-4,6-dimethylpyridin-1-ium-1-olate
  • 5-(3-(2,5-Dichloro-4,6-dimethyl-1-oxy-pyridin-3-yl)-(1,2,4)oxadiazol-5-yl)-3-nitrobenzene
  • 5-(3-(2,5-Dichloro-4,6-dimethyl-1-oxy-pyridin-3-yl)-(1,2,4)oxadiazol-5-yl)-3-nitrobenzene-1,2-diol

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

Physical form
Solidexp.

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
413.17 g/molcalc.
Exact mass
411.9977 Dacalc.
LogP (octanol/water)
3.28calc.
Topological polar surface area
149.5 Ųcalc.
Hydrogen bond donors
2calc.
Hydrogen bond acceptors
8calc.
Rotatable bonds
3calc.
Heavy atoms
27calc.
Rings
3calc.
Aromatic rings
3calc.
Fraction sp3 carbons
0.13calc.
Formal charge
0calc.
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, c1ccc(-c2nc(-c3cccnc3)no2)cc1

c1ccc(-c2nc(-c3cccnc3)no2)cc1

3 rings, 17 atoms, the 5-Phenyl-3-pyridin-3-yl-1,2,4-oxadiazole ring system.

112 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

GHS signal word
Danger
GHS02: Flammable
Flammable

Hazard statements

  • H228Flammable solid.
Precautionary statements (5)
  • P210Keep away from heat, hot surfaces, sparks, open flames and other ignition sources. No smoking.
  • P240Ground and bond container and receiving equipment.
  • P241Use explosion-proof electrical, ventilating and lighting equipment.
  • P280Wear protective gloves, protective clothing, eye protection and face protection.
  • P370 + P378In case of fire: Use appropriate media to extinguish.

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

Opicapone suppliers

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

All 26 suppliers
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Where suppliers are based

26 suppliers in 8 countries

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Opicapone 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

Industries and functions

Pharmacological actions

  • Catechol O-Methyltransferase Inhibitors

Roles

  • antidyskinesia agent
  • antiparkinson drug
  • pharmaceutical

Pharmacology

Opicapone is a Catechol-O-Methyltransferase Inhibitor. The mechanism of action of opicapone is as a Catechol O-Methyltransferase Inhibitor.

Regulatory status

Inventories, regulations and trade controls that list this substance

Health and food

  • Active ingredient in FDA approved drug labels

HS code and trade data

Customs classification and reported world trade statistics

Global trade

World import and export statistics for the HS code Opicapone 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 Opicapone is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

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

What is Opicapone?

Opicapone is a ring assembly and an oxadiazole.

What is the CAS number of Opicapone?

The CAS registry number of Opicapone is 923287-50-7.

What is the molecular formula and weight of Opicapone?

The molecular formula of Opicapone is C15H10Cl2N4O6 and its molar mass is 413.17 g/mol.

What is Opicapone used for?

Known uses and roles of Opicapone include cns agents in pharmaceuticals, antidyskinesia agent, antiparkinson drug, pharmaceutical and catechol o-methyltransferase inhibitors.

Is Opicapone hazardous?

Opicapone carries the GHS signal word "Danger". Main hazards: flammable solid. This summary is not an SDS, always read the supplier safety data sheet.

What is the HS code of Opicapone?

Opicapone 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 Opicapone?

CompoundList lists 26 suppliers of Opicapone in China, United States, India, Italy 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 Opicapone in India?

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

What is the price of Opicapone?

Suppliers quote Opicapone 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 Opicapone

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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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