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Heterocyclic building blocks

Opelconazole

Also known as Opelconazole(inn), 4-(4-(4-(((3R,5R)-5-(2,4-Difluorophenyl)-5-(1H-1,2,4-triazol-1-ylmethyl)oxolan-3-yl)methoxy)-3-methylphenyl)piperazin-1-yl)-N-(4-fluorophenyl)benzamide, 4-[4-(4-{[(3R,5R)-5-(2,4-Difluorophenyl)-5-(1H-1,2,4-triazol-1-ylmethyl)oxolan-3-yl]methoxy}-3-methylphenyl)piperazin-1-yl]-N-(4-fluorophenyl)benzamide

CAS 1931946-73-4Formula C38H37F3N6O3Molar mass 682.75 g/mol
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Opelconazole chemical structure, C38H37F3N6O3, CAS 1931946-73-4
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
1931946-73-4
Formula
C38H37F3N6O3
Molar mass
682.75 g/mol
HS code
293499
Category
Heterocyclic building blocks

What is Opelconazole?

Plain description, key identifiers and synonyms

Opelconazole is a synthetic triazole antifungal agent, with activity against a variety of pathogenic fungi that can potentially be used against invasive pulmonary aspergillosis. Upon inhalation by nebulizer, opelconazole is delivered in high concentrations to the lungs and resides in the lung tissues for a long period of time with minimal systemic exposure. Opelconazole selectively binds to and inhibits the CYP450-dependent 14-alpha-sterol demethylase in fungi, thereby preventing the production of ergosterol, which is an essential constituent of the fungal cell membrane. This results in fungal cell lysis and inhibits fungal infection in the lungs.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
4-[4-[4-[[(3R,5R)-5-(2,4-difluorophenyl)-5-(1,2,4-triazol-1-ylmethyl)oxolan-3-yl]methoxy]-3-methylphenyl]piperazin-1-yl]-N-(4-fluorophenyl)benzamide
CAS number
1931946-73-4
Molecular formula
C38H37F3N6O3
UNII
45LU8Q6ASU
InChIKey
OSAMZQJKSCAOHA-CWRQMEKBSA-N
InChI
InChI=1S/C38H37F3N6O3/c1-26-18-33(46-16-14-45(15-17-46)32-9-2-28(3-10-32)37(48)44-31-7-4-29(39)5-8-31)11-13-36(26)49-21-27-20-38(50-22-27,23-47-25-42-24-43-47)34-12-6-30(40)19-35(34)41/h2-13,18-19,24-25,27H,14-17,20-23H2,1H3,(H,44,48)/t27-,38+/m1/s1
Canonical SMILES
Cc1cc(N2CCN(c3ccc(C(=O)Nc4ccc(F)cc4)cc3)CC2)ccc1OCC1COC(Cn2cncn2)(c2ccc(F)cc2F)C1
Isomeric SMILES
CC1=C(C=CC(=C1)N2CCN(CC2)C3=CC=C(C=C3)C(=O)NC4=CC=C(C=C4)F)OC[C@H]5C[C@](OC5)(CN6C=NC=N6)C7=C(C=C(C=C7)F)F

Synonyms

  • Opelconazole(inn)
  • 4-(4-(4-(((3R,5R)-5-(2,4-Difluorophenyl)-5-(1H-1,2,4-triazol-1-ylmethyl)oxolan-3-yl)methoxy)-3-methylphenyl)piperazin-1-yl)-N-(4-fluorophenyl)benzamide
  • 4-[4-(4-{[(3R,5R)-5-(2,4-Difluorophenyl)-5-(1H-1,2,4-triazol-1-ylmethyl)oxolan-3-yl]methoxy}-3-methylphenyl)piperazin-1-yl]-N-(4-fluorophenyl)benzamide
  • Antifungal PC945
  • Inhaled Antifungal PC945
  • Triazole Antifungal PC945
  • PC 945
  • 4-[4-[4-[[(3R,5R)-5-(2,4-difluorophenyl)-5-(1,2,4-triazol-1-ylmethyl)oxolan-3-yl]methoxy]-3-methylphenyl]piperazin-1-yl]-N-(4-fluorophenyl)benzamide
  • Opelconazole (USAN/INN)
  • WHO 11612
  • 4-[4-(4-{[(3r,5r)-5-(2,4-difluorophenyl)-5-(1h-1,2,4-triazol-1-ylmethyl)oxolan-3-yl]methoxy}-3-methylphenyl)piperazin-1-yl]-N-(4 fluorophenyl)benzamide
  • 4-[4-[4-[[(3R,5R)-5-(2,4-difluorophenyl)-5-(1,2,4-triazol-1-ylmethyl)tetrahydrofuran-3-yl]methoxy]-3-methyl-phenyl]piperazin-1-yl]-N-(4-fluorophenyl)benzamide

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
682.75 g/molcalc.
Exact mass
682.2879 Dacalc.
LogP (octanol/water)
6.59calc.
Topological polar surface area
84.75 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
7calc.
Rotatable bonds
10calc.
Heavy atoms
50calc.
Rings
7calc.
Aromatic rings
5calc.
Fraction sp3 carbons
0.29calc.
Formal charge
0calc.
Stereocentres
2calc.
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=C(Nc1ccccc1)c1ccc(N2CCN(c3ccc(OCC4COC(Cn5cncn5)(c5ccccc5)C4)cc3)CC2)cc1

O=C(Nc1ccccc1)c1ccc(N2CCN(c3ccc(OCC4COC(Cn5cncn5)(c5ccccc5)C4)cc3)CC2)cc1

7 rings, 46 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.

Opelconazole suppliers

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Opelconazole 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

Roles

  • antifungal agent
  • antimicrobial agent

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 Opelconazole 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 Opelconazole is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

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

What is Opelconazole?

Opelconazole is a synthetic triazole antifungal agent, with activity against a variety of pathogenic fungi that can potentially be used against invasive pulmonary aspergillosis.

What is the CAS number of Opelconazole?

The CAS registry number of Opelconazole is 1931946-73-4.

What is the molecular formula and weight of Opelconazole?

The molecular formula of Opelconazole is C38H37F3N6O3 and its molar mass is 682.75 g/mol.

What is Opelconazole used for?

Known uses and roles of Opelconazole include building blocks in research and laboratory, antifungal agent and antimicrobial agent.

Is Opelconazole hazardous?

No GHS hazard classification for Opelconazole 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 Opelconazole?

Opelconazole 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 Opelconazole?

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

What is the price of Opelconazole?

Suppliers quote Opelconazole 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 Opelconazole

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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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