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Screening compounds

Naxifylline

Also known as naxifilina, 8-((2S,5,6-Exo)-5,6-epoxy-2-norbonyl)-1,3-dipropylxanthine, 1H-Purine-2,6-dione, 3,7-dihydro-8-(3-oxatricyclo(3.2.1.0(sup 2,4))oct-6-yl)-1,3-dipropyl-, (1S-(1alpha,2beta,4beta,5alpha,6.alpha.))-

CAS 166374-49-8Formula C18H24N4O3Molar mass 344.42 g/mol
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Naxifylline chemical structure, C18H24N4O3, CAS 166374-49-8
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
166374-49-8
Formula
C18H24N4O3
Molar mass
344.42 g/mol
HS code
293359
Category
Screening compounds

What is Naxifylline?

Plain description, key identifiers and synonyms

Naxifylline is a chemical substance with the molecular formula C18H24N4O3 and a molar mass of 344.42 g/mol. Its CAS registry number is 166374-49-8. The IUPAC name is 8-[(1S,2R,4S,5S,6S)-3-oxatricyclo[3.2.1.02,4]octan-6-yl]-1,3-dipropyl-7H-purine-2,6-dione.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
8-[(1S,2R,4S,5S,6S)-3-oxatricyclo[3.2.1.02,4]octan-6-yl]-1,3-dipropyl-7H-purine-2,6-dione
CAS number
166374-49-8
Molecular formula
C18H24N4O3
UNII
B3G45WC37L
InChIKey
OQCJPFYWFGUHIN-GJKBLCTNSA-N
InChI
InChI=1S/C18H24N4O3/c1-3-5-21-16-12(17(23)22(6-4-2)18(21)24)19-15(20-16)11-8-9-7-10(11)14-13(9)25-14/h9-11,13-14H,3-8H2,1-2H3,(H,19,20)/t9-,10+,11+,13-,14+/m1/s1
Canonical SMILES
CCCn1c(=O)c2[nH]c(C3CC4CC3C3OC43)nc2n(CCC)c1=O
Isomeric SMILES
CCCN1C2=C(C(=O)N(C1=O)CCC)NC(=N2)[C@H]3C[C@H]4C[C@@H]3[C@H]5[C@@H]4O5

Synonyms

  • naxifilina
  • 8-((2S,5,6-Exo)-5,6-epoxy-2-norbonyl)-1,3-dipropylxanthine
  • 1H-Purine-2,6-dione, 3,7-dihydro-8-(3-oxatricyclo(3.2.1.0(sup 2,4))oct-6-yl)-1,3-dipropyl-, (1S-(1alpha,2beta,4beta,5alpha,6.alpha.))-
  • 1H-Purine-2,6-dione, 3,7-dihydro-8-(3-oxatricyclo(3.2.1.0(sup 2,4))oct-6-yl)-1,3-dipropyl-, (1S-(1alpha,2beta,4beta,5alpha,6alpha))-
  • 8-[(2S,5,6-exo)-5,6-epoxy-2-norbonyl]-1,3-dipropylxanthine
  • 2-((1S,2R,4S,5S,6S)-3-oxatricyclo(3.2.1.0^(2,4))octan-6-yl)-4,6-dipropyl-3H,4H,5H,6H,7H-imidazo(4,5-b)pyridine-5,7-dione
  • 2-[(1S,2R,4S,5S,6S)-3-oxatricyclo[3.2.1.0^{2,4}]octan-6-yl]-4,6-dipropyl-3H,4H,5H,6H,7H-imidazo[4,5-b]pyridine-5,7-dione
  • Naxifyllinum
  • 8-[(1S,2R,4S,5S,6S)-3-oxatricyclo[3.2.1.02,4]octan-6-yl]-1,3-dipropyl-7H-purine-2,6-dione
  • 1H-Purine-2,6-dione, 3,7-dihydro-8-(3-oxatricyclo(3.2.1.02,4)oct-6-yl)-1,3-dipropyl-,(1S(1alpha,2beta,4beta,5alpha,6alpha))-

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
344.42 g/molcalc.
Exact mass
344.1848 Dacalc.
LogP (octanol/water)
1.6calc.
Topological polar surface area
85.21 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
4calc.
Rotatable bonds
5calc.
Heavy atoms
25calc.
Rings
5calc.
Aromatic rings
2calc.
Fraction sp3 carbons
0.72calc.
Formal charge
0calc.
Stereocentres
5calc.
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]c(C3CC4CC3C3OC43)nc2[nH]1

O=c1[nH]c(=O)c2[nH]c(C3CC4CC3C3OC43)nc2[nH]1

5 rings, 19 atoms.

2 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.

Naxifylline suppliers

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

Frequently asked questions

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

What is Naxifylline?

Naxifylline is a chemical substance with the molecular formula C18H24N4O3 and a molar mass of 344.42 g/mol. Its CAS registry number is 166374-49-8. The IUPAC name is 8-[(1S,2R,4S,5S,6S)-3-oxatricyclo[3.2.1.02,4]octan-6-yl]-1,3-dipropyl-7H-purine-2,6-dione.

What is the CAS number of Naxifylline?

The CAS registry number of Naxifylline is 166374-49-8.

What is the molecular formula and weight of Naxifylline?

The molecular formula of Naxifylline is C18H24N4O3 and its molar mass is 344.42 g/mol.

What is Naxifylline used for?

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

Is Naxifylline hazardous?

No GHS hazard classification for Naxifylline 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 Naxifylline?

Naxifylline 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 Naxifylline?

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

What is the price of Naxifylline?

Suppliers quote Naxifylline 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

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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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