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Screening compounds

Roxoperone

Also known as Roxoperonum, Roxoperon, roxoperona

CAS 2804-00-4Formula C19H23FN2O3Molar mass 346.40 g/mol
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Roxoperone chemical structure, C19H23FN2O3, CAS 2804-00-4
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
2804-00-4
Formula
C19H23FN2O3
Molar mass
346.40 g/mol
HS code
293339
Category
Screening compounds

What is Roxoperone?

Plain description, key identifiers and synonyms

Roxoperone is a chemical substance with the molecular formula C19H23FN2O3 and a molar mass of 346.40 g/mol. Its CAS registry number is 2804-00-4. The IUPAC name is 8-[4-(4-fluorophenyl)-4-oxobutyl]-2-methyl-2,8-diazaspiro[4.5]decane-1,3-dione.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
8-[4-(4-fluorophenyl)-4-oxobutyl]-2-methyl-2,8-diazaspiro[4.5]decane-1,3-dione
CAS number
2804-00-4 CAS number cross-checked
Molecular formula
C19H23FN2O3
UNII
5RS1CY853F
InChIKey
YJPFLFAWBYRCEH-UHFFFAOYSA-N
InChI
InChI=1S/C19H23FN2O3/c1-21-17(24)13-19(18(21)25)8-11-22(12-9-19)10-2-3-16(23)14-4-6-15(20)7-5-14/h4-7H,2-3,8-13H2,1H3
SMILES (canonical and isomeric)
CN1C(=O)CC2(C1=O)CCN(CC2)CCCC(=O)C3=CC=C(C=C3)F

Synonyms

  • Roxoperonum
  • Roxoperon
  • roxoperona
  • 2,8-Diazaspiro(4,5)decane-1,3-dione, 8-(3-(p-fluorobenzoyl)propyl)-2-methyl-
  • 5-24-07-00315 (Beilstein Handbook Reference)
  • 8-(3-(p-Fluorobenzoyl)propyl)-2-methyl-2,8-diazaspiro(4.5)decane-1,3-dione
  • 8-(4-p-Fluorophenyl-4-oxobutyl)-2-methyl-2,8-diazaspiro(4.5)decane-1,3-dione
  • Roxoperon (INN-Spanish)
  • Roxoperonum (INN-Latin)
  • 2,8-Diazaspiro(4.5)decane-1,3-dione, 8-(4-(4-fluorophenyl)-4-oxobutyl)-2-methyl-
  • 2,8-Diazaspiro(4.5)decane-1,3-dione, 8-(4-(4-fluorophenyl)-4-oxobutyl)-2-methyl-(9CI)
  • 8-[4-(4-fluorophenyl)-4-oxobutyl]-2-methyl-2,8-diazaspiro[4.5]decane-1,3-dione
  • FR 33, NSC 186062
  • 8-[3-(p-Fluorobenzoyl)propyl]-2-methyl-2,3-dione
  • 2,3-dione, 8-[3-(p-fluorobenzoyl)propyl]-2-methyl-
  • 2,3-dione, 8-[4-(4-fluorophenyl)-4-oxobutyl]-2-methyl-
  • 2,5]decane-1,3-dione, 8-[4-(4-fluorophenyl)-4-oxobutyl]-2-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
346.40 g/molcalc.
Exact mass
346.1693 Dacalc.
LogP (octanol/water)
2.26calc.
Topological polar surface area
57.69 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
4calc.
Rotatable bonds
5calc.
Heavy atoms
25calc.
Rings
3calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.53calc.
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, O=C1CC2(CCN(CCCC(=O)c3ccccc3)CC2)C(=O)N1

O=C1CC2(CCN(CCCC(=O)c3ccccc3)CC2)C(=O)N1

3 rings, 23 atoms.

3 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.

Roxoperone suppliers

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Roxoperone 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 Roxoperone is traded under.

HS 2933.39Indicative HS code

Heterocyclic compounds containing an unfused pyridine ring (whether or not hydrogenated) in the structure…

World exports in 2024
$9.16B
−17.9% vs 2023, imports $10.6B
2019 to 2024
Top exporters
  1. China21.5%
  2. India * partner reported12.3%
  3. Ireland11.6%
Top importers
  1. Germany14.2%
  2. United States12.8%
  3. Brazil10.1%

* Partner reported figures, a lower bound.

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

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

Frequently asked questions

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

What is Roxoperone?

Roxoperone is a chemical substance with the molecular formula C19H23FN2O3 and a molar mass of 346.40 g/mol. Its CAS registry number is 2804-00-4. The IUPAC name is 8-[4-(4-fluorophenyl)-4-oxobutyl]-2-methyl-2,8-diazaspiro[4.5]decane-1,3-dione.

What is the CAS number of Roxoperone?

The CAS registry number of Roxoperone is 2804-00-4.

What is the molecular formula and weight of Roxoperone?

The molecular formula of Roxoperone is C19H23FN2O3 and its molar mass is 346.40 g/mol.

What is Roxoperone used for?

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

Is Roxoperone hazardous?

No GHS hazard classification for Roxoperone 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 Roxoperone?

Roxoperone is usually classified under HS code 293339 (Compounds containing an unfused pyridine ring (whether or not hydrogenated) in the…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Roxoperone?

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

What is the price of Roxoperone?

Suppliers quote Roxoperone 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 Roxoperone

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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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