CompoundList
Sign in
Aromatic building blocks

Guaithylline

Also known as Guaifylline, Eclabron, Guaifylline (INN)

CAS 5634-38-8Formula C17H22N4O6Molar mass 378.39 g/molEC 227-078-0
Get quotes Safety data
Guaithylline chemical structure, C17H22N4O6, CAS 5634-38-8
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
5634-38-8
Formula
C17H22N4O6
Molar mass
378.39 g/mol
EC number
227-078-0
HS code
290949
Category
Aromatic building blocks

What is Guaithylline?

Plain description, key identifiers and synonyms

Guaithylline is a chemical substance with the molecular formula C17H22N4O6 and a molar mass of 378.39 g/mol. Its CAS registry number is 5634-38-8. The IUPAC name is 1,3-dimethyl-7H-purine-2,6-dione, 3-(2-methoxyphenoxy)propane-1,2-diol.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
1,3-dimethyl-7H-purine-2,6-dione, 3-(2-methoxyphenoxy)propane-1,2-diol
CAS number
5634-38-8
EC number
227-078-0
Molecular formula
C17H22N4O6
UNII
23LFU6H8JD
InChIKey
PVKUHCBHOUMGJN-UHFFFAOYSA-N
InChI
InChI=1S/C10H14O4.C7H8N4O2/c1-13-9-4-2-3-5-10(9)14-7-8(12)6-11;1-10-5-4(8-3-9-5)6(12)11(2)7(10)13/h2-5,8,11-12H,6-7H2,1H3;3H,1-2H3,(H,8,9)
SMILES (canonical and isomeric)
CN1C2=C(C(=O)N(C1=O)C)NC=N2.COC1=CC=CC=C1OCC(CO)O

Synonyms

  • Guaifylline
  • Eclabron
  • Guaifylline (INN)
  • Guaifenesin / theophylline
  • Guaifilina
  • Guaifyllinum
  • Guaithylline (USAN)
  • Guaifilina (INN-Spanish)
  • Guaifyllinum (INN-Latin)
  • Theophylline compound with 3-(o-methoxyphenoxy)-1,2-propanediol

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
378.39 g/molcalc.
Exact mass
378.1539 Dacalc.
LogP (octanol/water)
-0.61calc.
Topological polar surface area
131.6 Ųcalc.
Hydrogen bond donors
3calc.
Hydrogen bond acceptors
7calc.
Rotatable bonds
5calc.
Heavy atoms
27calc.
Rings
3calc.
Aromatic rings
3calc.
Fraction sp3 carbons
0.35calc.
Formal charge
0calc.
Stereocentres
1calc.
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, c1ccccc1

c1ccccc1

1 ring, 6 atoms, the Benzene ring system.

485,677 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.

Guaithylline suppliers

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

No supplier listings yet

Post one free request and suppliers who make or trade Guaithylline can send you quotes. Your contact details stay private until you accept a quote.

Request quotesSell this chemical

Guaithylline 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.

Get latest price

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 Guaithylline is traded under.

HS 2909.49Indicative HS code

Ether-alcohols and their halogenated not elsewhere classified in subheading 2909.4

World exports in 2024
$1.74B
+6.8% vs 2023, imports $1.86B
2019 to 2024
Top exporters
  1. Germany20.6%
  2. China13.9%
  3. Netherlands12.2%
Top importers
  1. China8.8%
  2. Germany8.3%
  3. United States7.5%
Reported customs values in USD, not prices.Full trade data

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

Frequently asked questions

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

What is Guaithylline?

Guaithylline is a chemical substance with the molecular formula C17H22N4O6 and a molar mass of 378.39 g/mol. Its CAS registry number is 5634-38-8. The IUPAC name is 1,3-dimethyl-7H-purine-2,6-dione, 3-(2-methoxyphenoxy)propane-1,2-diol.

What is the CAS number of Guaithylline?

The CAS registry number of Guaithylline is 5634-38-8.

What is the molecular formula and weight of Guaithylline?

The molecular formula of Guaithylline is C17H22N4O6 and its molar mass is 378.39 g/mol.

What is Guaithylline used for?

Known uses and roles of Guaithylline include building blocks in research and laboratory.

Is Guaithylline hazardous?

No GHS hazard classification for Guaithylline 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 Guaithylline?

Guaithylline is usually classified under HS code 290949 (Ether-alcohols and their halogenated, sulphonated, nitrated or nitrosated derivatives…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Guaithylline?

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

What is the price of Guaithylline?

Suppliers quote Guaithylline 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 Guaithylline

Get quotes for Guaithylline

Post one free request with your grade, quantity and destination. Matching suppliers send quotes you can compare side by side.
Post a request Sell Guaithylline
Data last updated 7 Oct 2026. Details may have changed, please confirm them with the supplier. Report an error on this page
Embed this structure on your websiteShow code

Paste this code into your page to show the 2D structure of Guaithylline with a 3D view, its CAS number where known and a link back to this page. Free to use with the link kept.

<iframe src="https://www.compoundlist.com/embed/structure/guaithylline-5634-38-8" title="Guaithylline structure on CompoundList" width="360" height="420" style="border:1px solid #E7E2DA;border-radius:12px;max-width:100%" loading="lazy" referrerpolicy="strict-origin-when-cross-origin"></iframe>
Preview the embed

Explore more in Aromatic building blocks or HS code 290949

Price on request
Free quotes, contact stays private
Get quotes