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Heterocyclic building blocks

Oxtriphylline

Also known as Choline theophyllinate, Cholinophyllin, Choline theophylline

CAS 4499-40-5Formula C12H21N5O3Molar mass 283.33 g/molEC 224-798-7
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Oxtriphylline chemical structure, C12H21N5O3, CAS 4499-40-5
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
4499-40-5
Formula
C12H21N5O3
Molar mass
283.33 g/mol
EC number
224-798-7
HS code
293359
Category
Heterocyclic building blocks

What is Oxtriphylline?

Plain description, key identifiers and synonyms

Oxtriphylline is a chemical substance with the molecular formula C12H21N5O3 and a molar mass of 283.33 g/mol. Its CAS registry number is 4499-40-5. The IUPAC name is 1,3-dimethyl-2-oxopurin-6-olate, 2-hydroxyethyl(trimethyl)azanium.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
1,3-dimethyl-2-oxopurin-6-olate, 2-hydroxyethyl(trimethyl)azanium
CAS number
4499-40-5 CAS number cross-checkedOther or deprecated CAS: 146-71-4
EC number
224-798-7
Molecular formula
C12H21N5O3
UNII
3K045XR58X
InChIKey
SOELXOBIIIBLRJ-UHFFFAOYSA-M
InChI
InChI=1S/C7H8N4O2.C5H14NO/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13;1-6(2,3)4-5-7/h3,12H,1-2H3;7H,4-5H2,1-3H3/q;+1/p-1
SMILES (canonical and isomeric)
CN1C(=C2C(=NC=N2)N(C1=O)C)[O-].C[N+](C)(C)CCO

Synonyms

  • Choline theophyllinate
  • Cholinophyllin
  • Choline theophylline
  • Choledyl
  • Theocolin
  • Teofilinato de colina
  • Theophyllinate de choline
  • Choline salt with theophylline (1:1)
  • 1,3-dimethyl-2-oxopurin-6-olate, 2-hydroxyethyl(trimethyl)azanium
  • Oxtriphylline (USP)
  • Choline theophylline (JAN)
  • Choline theophyllinate (INN)
  • Cholinophylline
  • Oxtrimethylline
  • Soliphylline
  • Teofilcolina
  • Theoxylline
  • Cholegyl
  • Filoral
  • Sabidal
  • Teokolin
  • Colina teofillinato
  • Ethanaminium, 2-hydroxy-N,N,N-trimethyl-, salt with 3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione
  • Cholini theophyllinas
  • Choledyl SA 400
Show all 33 synonyms
  • Theophylline cholinate
  • Oxtriphylline pediatric
  • Choline theophylline salt
  • Theophylline salt of choline
  • Oxytrimethylline
  • cholintheophyllinat
  • Theocolin (TN)
  • Zy 15061

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
283.33 g/molcalc.
Exact mass
283.1644 Dacalc.
LogP (octanol/water)
-1.62calc.
Topological polar surface area
96 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
5calc.
Rotatable bonds
2calc.
Heavy atoms
20calc.
Rings
2calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.58calc.
Formal charge
0calc.
Stereocentres
0calc.
Components
2calc.
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=c1nc2nc[nH]c2c[nH]1

O=c1nc2nc[nH]c2c[nH]1

2 rings, 10 atoms, the 7H-Purin-2-ol ring system.

65 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.

Oxtriphylline suppliers

Sponsored listings first, then the documented ranking: membership, verification, replies, completeness, freshness and ratings

All 6 suppliers
6 of 6 offers

Suppliers marked Unclaimed profile have not claimed their profile yet. They are not verified by CompoundList, their offers are price on request and details may have changed, so please confirm them with the supplier. Company representatives can claim a profile with a business email on the company's own website domain. Our team verifies each claim and sends the result by email.

Where suppliers are based

6 suppliers in 2 countries

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

Frequently asked questions

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

What is Oxtriphylline?

Oxtriphylline is a chemical substance with the molecular formula C12H21N5O3 and a molar mass of 283.33 g/mol. Its CAS registry number is 4499-40-5. The IUPAC name is 1,3-dimethyl-2-oxopurin-6-olate, 2-hydroxyethyl(trimethyl)azanium.

What is the CAS number of Oxtriphylline?

The CAS registry number of Oxtriphylline is 4499-40-5. Other or deprecated CAS numbers: 146-71-4.

What is the molecular formula and weight of Oxtriphylline?

The molecular formula of Oxtriphylline is C12H21N5O3 and its molar mass is 283.33 g/mol.

What is Oxtriphylline used for?

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

Is Oxtriphylline hazardous?

No GHS hazard classification for Oxtriphylline 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 Oxtriphylline?

Oxtriphylline 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 Oxtriphylline?

CompoundList lists 6 suppliers of Oxtriphylline in India and Belgium. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

Where can I buy Oxtriphylline in India?

5 suppliers in India list Oxtriphylline on CompoundList. Filter the suppliers list by country and send a request to compare prices, grades and delivery times.

What is the price of Oxtriphylline?

Suppliers quote Oxtriphylline 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 Oxtriphylline

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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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