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Heterocyclic building blocks

Lomifylline

Also known as Lomifilina, Lomifyllinum, 7-(5-Oxohexyl)theophylline

CAS 10226-54-7Formula C13H18N4O3Molar mass 278.31 g/molEC 233-547-0
GHS signal word: Warning. Pictograms: Harmful or irritant
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Lomifylline chemical structure, C13H18N4O3, CAS 10226-54-7
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
10226-54-7
Formula
C13H18N4O3
Molar mass
278.31 g/mol
EC number
233-547-0
HS code
293359
Category
Heterocyclic building blocks

What is Lomifylline?

Plain description, key identifiers and synonyms

1,3-dimethyl-7-(5-oxohexyl)purine-2,6-dione is an oxopurine.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
1,3-dimethyl-7-(5-oxohexyl)purine-2,6-dione
CAS number
10226-54-7 CAS number cross-checked
EC number
233-547-0
Molecular formula
C13H18N4O3
UNII
NA91GV8GDJ
InChIKey
XBEDAMVJWVPVDS-UHFFFAOYSA-N
InChI
InChI=1S/C13H18N4O3/c1-9(18)6-4-5-7-17-8-14-11-10(17)12(19)16(3)13(20)15(11)2/h8H,4-7H2,1-3H3
SMILES (canonical and isomeric)
CC(=O)CCCCN1C=NC2=C1C(=O)N(C(=O)N2C)C

Synonyms

  • Lomifilina
  • Lomifyllinum
  • 7-(5-Oxohexyl)theophylline
  • 3,7-Dihydro-1,3-dimethyl-7-(5-oxohexyl)-1H-purine-2,6-dione
  • 1,3-Dimethyl-7-(5-oxohexyl)-1H-purine-2,6(3H,7H)-dione
  • 1,3-dimethyl-7-(5-oxohexyl)purine-2,6-dione
  • 1,3-dimethyl-7-(5-oxohexyl)-3,7-dihydro-1H-purine-2,6-dione
  • 1,2,3,6-Tetrahydro-1,3-dimethyl-7-(5-oxohexyl)purin-2,6-dion
  • 7-(5-oxohexyl)-1,3-dimethylxanthine
  • 1,3-dimethyl-7-(5-oxohexyl)-xanthine
  • 7-(5-keto-hexyl)-1,3-dimethylxanthine
  • 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-7-(5-oxohexyl)-
  • Purin-2,6-dione, 1,2,3,6-tetrahydro-1,3-dimethyl-7-(5-oxohexyl)-

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
278.31 g/molcalc.
Exact mass
278.1379 Dacalc.
LogP (octanol/water)
0.19calc.
Topological polar surface area
78.89 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
4calc.
Rotatable bonds
5calc.
Heavy atoms
20calc.
Rings
2calc.
Aromatic rings
2calc.
Fraction sp3 carbons
0.54calc.
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

GHS signal word
Warning
GHS07: Harmful or irritant
Harmful or irritant

Hazard statements

  • H302Harmful if swallowed.
Precautionary statements (5)
  • P264Wash skin thoroughly after handling.
  • P270Do not eat, drink or smoke when using this product.
  • P301 + P317If swallowed: Get medical help.
  • P330Rinse mouth.
  • P501Dispose of contents and container in accordance with local regulations.

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

Lomifylline suppliers

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

Frequently asked questions

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

What is Lomifylline?

1,3-dimethyl-7-(5-oxohexyl)purine-2,6-dione is an oxopurine.

What is the CAS number of Lomifylline?

The CAS registry number of Lomifylline is 10226-54-7.

What is the molecular formula and weight of Lomifylline?

The molecular formula of Lomifylline is C13H18N4O3 and its molar mass is 278.31 g/mol.

What is Lomifylline used for?

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

Is Lomifylline hazardous?

Lomifylline carries the GHS signal word "Warning". Main hazards: harmful if swallowed. This summary is not an SDS, always read the supplier safety data sheet.

What is the HS code of Lomifylline?

Lomifylline 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 Lomifylline?

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

What is the price of Lomifylline?

Suppliers quote Lomifylline 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 Lomifylline

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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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