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Pentoxifylline chemical structure, C13H18N4O3, CAS 6493-05-6
2D chemical structure

Key facts

What buyers check first

CAS number
6493-05-6
Formula
C13H18N4O3
Molar mass
278.31 g/mol
EC number
229-374-5
HS code
293359
Category
Cardiovascular and metabolic drugs

What is Pentoxifylline?

Plain description, key identifiers and synonyms

Pentoxifylline is an oxopurine.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
3,7-dimethyl-1-(5-oxohexyl)purine-2,6-dione
CAS number
6493-05-6 CAS number cross-checked
EC number
229-374-5
Molecular formula
C13H18N4O3
UNII
SD6QCT3TSU
MDL number
MFCD00063379
InChIKey
BYPFEZZEUUWMEJ-UHFFFAOYSA-N
InChI
InChI=1S/C13H18N4O3/c1-9(18)6-4-5-7-17-12(19)10-11(14-8-15(10)2)16(3)13(17)20/h8H,4-7H2,1-3H3
SMILES (canonical and isomeric)
CC(=O)CCCCN1C(=O)C2=C(N=CN2C)N(C1=O)C

Synonyms

  • Trental
  • Oxpentifylline
  • Pentoxil
  • Pentoxyphylline
  • Pentoxiphyllin
  • 1-(5-Oxohexyl)theobromine
  • 3,7-Dihydro-3,7-dimethyl-1-(5-oxohexyl)-1H-purine-2,6-dione
  • 1H-Purine-2,6-dione, 3,7-dihydro-3,7-dimethyl-1-(5-oxohexyl)-
  • BL 191
  • Pentoxifilina
  • Oxypentifylline
  • Pentoxifyllinum
  • 3,7-dimethyl-1-(5-oxohexyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione
  • 1,2,3,6-Tetrahydro-3,7-dimethyl-1-(5-oxohexyl)-2,6-purindion
  • pentoxifillina
  • Neotren mr
  • Trental 100
  • Trental 400
  • Pentoxifyllin
  • Torental
  • Vazofirin
  • Pentoxiphyllium
  • Pentoxyfylline
  • 3,7-Dimethyl-1-(5-oxohexyl)xanthine
  • Dimethyloxohexylxanthine
Show all 38 synonyms
  • Pentoxiphylline
  • Rentylin
  • 3,7-dimethyl-1-(5-oxohexyl)purine-2,6-dione
  • 3,7-dimethyl-1-(5-oxohexyl)-1H-purine-2,6(3H,7H)-dione
  • Pentoxyphyllin
  • 3,7-Dimethyl-1-(5-oxohexyl)-3,7-dihydro-1H-purine-2,6-dione
  • Pentoxyfilline
  • Pentoxyifylline
  • 1-(5-Oxohexyl)-3,7-dimethylxanthine
  • cis-9-Octadecenoyl coenzyme A
  • Theobromine, 1-(5-oxohexyl)-
  • 3,7-Dimethyl-1-(5-oxohexyl)-1H,3H-purin-2,6-dione
  • Azupentat

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 ร…ยฒcalc.
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

Pentoxifylline suppliers

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Pentoxifylline 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

Use classes: Pharmaceuticals.

Pharmacological actions

  • Free Radical Scavengers
  • Phosphodiesterase Inhibitors
  • Platelet Aggregation Inhibitors
  • Radiation-Protective Agents
  • Vasodilator Agents

Roles

  • anti-HIV agent
  • anti-anaemic agent
  • anti-inflammatory agent
  • anticonvulsant
  • anticoronaviral agent
  • antidepressant
  • antidyskinesia agent
  • antifibrotic agent
  • antiinfective agent
  • antileishmanial agent
  • antimalarial
  • antimicrobial drug
  • antineoplastic agent
  • antiparkinson drug
  • antiprotozoal drug
  • antipsychotic agent
  • antiviral agent
  • cardiovascular drug
  • central nervous system drug
  • hepatoprotective agent
  • hypoglycemic agent
  • pharmaceutical
  • renoprotective agent
  • vulnerary

Pharmacology

Pentoxifylline is a Blood Viscosity Reducer. The physiologic effect of pentoxifylline is by means of Hematologic Activity Alteration.

Regulatory status

Inventories, regulations and trade controls that list this substance

Health and food

  • Active ingredient in FDA approved drug labels

HS code and trade data

Customs classification and reported world trade statistics

Global trade

World import and export statistics for the HS code Pentoxifylline 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 Pentoxifylline is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

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

What is Pentoxifylline?

Pentoxifylline is an oxopurine.

What is the CAS number of Pentoxifylline?

The CAS registry number of Pentoxifylline is 6493-05-6.

What is the molecular formula and weight of Pentoxifylline?

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

What is Pentoxifylline used for?

Use classes: Pharmaceuticals.

Is Pentoxifylline hazardous?

Pentoxifylline 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 Pentoxifylline?

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

Where can I buy Pentoxifylline?

CompoundList lists 114 suppliers of Pentoxifylline in United States, China, India, Germany and 16 more. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

Where can I buy Pentoxifylline in India?

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

What is the price of Pentoxifylline?

Suppliers quote Pentoxifylline 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 Pentoxifylline

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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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