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Screening compounds

Denbufylline

Also known as BRL 30892, 7-(2'-oxopropyl)-1,3-di-n-butylxanthine, 1H-Purine-2,6-dione, 1,3-dibutyl-3,7-dihydro-7-(2-oxopropyl)-

CAS 57076-71-8Formula C16H24N4O3Molar mass 320.39 g/molEC 611-460-2
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Denbufylline chemical structure, C16H24N4O3, CAS 57076-71-8
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
57076-71-8
Formula
C16H24N4O3
Molar mass
320.39 g/mol
EC number
611-460-2
HS code
293359
Category
Screening compounds

What is Denbufylline?

Plain description, key identifiers and synonyms

1,3-dibutyl-7-(2-oxopropyl)purine-2,6-dione is an oxopurine.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
1,3-dibutyl-7-(2-oxopropyl)purine-2,6-dione
CAS number
57076-71-8 CAS number cross-checked
EC number
611-460-2
Molecular formula
C16H24N4O3
UNII
04B949KO6F
MDL number
MFCD00867152
InChIKey
HJPRDDKCXVCFOH-UHFFFAOYSA-N
InChI
InChI=1S/C16H24N4O3/c1-4-6-8-19-14-13(18(11-17-14)10-12(3)21)15(22)20(16(19)23)9-7-5-2/h11H,4-10H2,1-3H3
SMILES (canonical and isomeric)
CCCCN1C2=C(C(=O)N(C1=O)CCCC)N(C=N2)CC(=O)C

Synonyms

  • BRL 30892
  • 7-(2'-oxopropyl)-1,3-di-n-butylxanthine
  • 1H-Purine-2,6-dione, 1,3-dibutyl-3,7-dihydro-7-(2-oxopropyl)-
  • Denbufilina
  • 1,3-dibutyl-7-(2-oxopropyl)purine-2,6-dione
  • 7-Acetonyl-1,3-dibutylxanthine
  • Denbufyllinum
  • 1,3-Di-n-butyl-7-(2-oxopropyl)xanthine
  • 1,3-dibutyl-7-(2-oxopropyl)-3,7-dihydro-1h-purine-2,6-dione
  • 3,7-Dihydro-1,3-dibutyl-7-(2-oxopropyl)-1H-purine-2,6-dione
  • 1,3-Dibutyl-3,7-dihydro-7-(2-oxopropyl)-1H-purine-2,6-dione
  • 1H-Purine-2,6-dione,1,3-dibutyl-3,7-dihydro-7-(2-oxopropyl)-
  • 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dibutyl-7-(2-oxopropyl)-
  • HSCI1_000304
  • 7-acetonyl-1,3-dibutyl-purine-2,6-dione
  • 1,3-Di-n-butyl-7-[2'-oxopropyl)xanthine
  • 1,3-Dibutyl-7-(2-oxo-propyl)-3,7-dihydro-purine-2,6-dione
  • 1,3-Dibutyl-7-(2-oxo-propyl)-3,7-dihydro-purine-2,6-dione (Denbufyllene)
  • 1,3-Dibutyl-7-(2-oxo-propyl)-3,7-dihydro-purine-2,6-dione(denbufylline)

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
320.39 g/molcalc.
Exact mass
320.1848 Dacalc.
LogP (octanol/water)
1.55calc.
Topological polar surface area
78.89 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
4calc.
Rotatable bonds
8calc.
Heavy atoms
23calc.
Rings
2calc.
Aromatic rings
2calc.
Fraction sp3 carbons
0.63calc.
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=c1[nH]c(=O)c2[nH]cnc2[nH]1

O=c1[nH]c(=O)c2[nH]cnc2[nH]1

2 rings, 11 atoms, the Xanthine ring system.

1,880 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.

Denbufylline suppliers

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Denbufylline 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

Pharmacological actions

  • Phosphodiesterase Inhibitors

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 Denbufylline is traded under.

HS 2933.59Indicative HS code

Compounds containing a pyrimidine ring (whether or not hydrogenated) or piperazine ring, other

World exports in 2024
$18.4B
+10.5% vs 2023, imports $24.8B
2019 to 2024
Top exporters
  1. Ireland43.6%
  2. Switzerland * partner reported26.3%
  3. China7.9%
Top importers
  1. Slovenia30.3%
  2. United States30.1%
  3. Germany15.3%

* Partner reported figures, a lower bound.

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

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

Frequently asked questions

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

What is Denbufylline?

1,3-dibutyl-7-(2-oxopropyl)purine-2,6-dione is an oxopurine.

What is the CAS number of Denbufylline?

The CAS registry number of Denbufylline is 57076-71-8.

What is the molecular formula and weight of Denbufylline?

The molecular formula of Denbufylline is C16H24N4O3 and its molar mass is 320.39 g/mol.

What is Denbufylline used for?

Known uses and roles of Denbufylline include building blocks in research and laboratory, screening compounds in research and laboratory and phosphodiesterase inhibitors.

Is Denbufylline hazardous?

No GHS hazard classification for Denbufylline 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 Denbufylline?

Denbufylline is usually classified under HS code 293359 (Compounds containing a pyrimidine ring (whether or not hydrogenated) or piperazine ring…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Denbufylline?

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

What is the price of Denbufylline?

Suppliers quote Denbufylline 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 Denbufylline

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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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