Propentofylline
Also known as Propentophylline, HWA 285, 3,7-Dihydro-3-methyl-1-(5-oxohexyl)-7-propyl-1H-purine-2,6-dione
Key facts
What buyers check first
- CAS number
- 55242-55-2
- Formula
- C15H22N4O3
- Molar mass
- 306.37 g/mol
- EC number
- 611-242-7
- HS code
- 293359
- Category
- Screening compounds
What is Propentofylline?
Plain description, key identifiers and synonyms
Propentofylline is an oxopurine.
Identifiers
Registry numbers, names and line notations, tap to copy
- IUPAC name
- 3-methyl-1-(5-oxohexyl)-7-propylpurine-2,6-dione
- CAS number
- 55242-55-2 CAS number cross-checked
- EC number
- 611-242-7
- Molecular formula
- C15H22N4O3
- UNII
- 5RTA398U4H
- MDL number
- MFCD00133785
- InChIKey
- RBQOQRRFDPXAGN-UHFFFAOYSA-N
- InChI
- InChI=1S/C15H22N4O3/c1-4-8-18-10-16-13-12(18)14(21)19(15(22)17(13)3)9-6-5-7-11(2)20/h10H,4-9H2,1-3H3
- SMILES (canonical and isomeric)
- CCCN1C=NC2=C1C(=O)N(C(=O)N2C)CCCCC(=O)C
Synonyms
- Propentophylline
- HWA 285
- 3,7-Dihydro-3-methyl-1-(5-oxohexyl)-7-propyl-1H-purine-2,6-dione
- Propentofyllinum
- Propentofilina
- 1H-Purine-2,6-dione, 3,7-dihydro-3-methyl-1-(5-oxohexyl)-7-propyl-
- 1-(5'-oxohexyl)-3-methyl-7-propylxanthine
- 3-methyl-1-(5-oxohexyl)-7-propyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
- Hextol
- Albert-285
- 3-methyl-1-(5-oxohexyl)-7-propylpurine-2,6-dione
- 3-Methyl-1-(5-oxohexyl)-7-propylxanthine
- 3-methyl-1-(5-oxohexyl)-7-propyl-1H-purine-2,6(3H,7H)-dione
- 3-Methyl-1-(5-Oxohexyl)-7-Propyl-3,7-Dihydro-1h-Purine-2,6-Dione
- Karsivan
- Propentofylina
- Viviq
- 3arx
- POY
- Propentofylline, solid
- 3as2
- HOE-285HextolKarsivan
- Propentofylline (JAN/INN)
- 5-26-14-00082 (Beilstein Handbook Reference)
- 3-methyl-1-(5-oxohexyl)-7-propyl-purine-2,6-dione
Show all 28 synonymsShow fewer synonyms
- Sdccgsbi-0050988.p003
- 1-(5-Oxohexyl)-3-methyl-7-propylxanthine
- 3-Methyl-1-[5-oxohexyl]-7-propyl-xanthine
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 | 306.37 g/molcalc.Computed value |
|---|---|
| Exact mass | 306.1692 Dacalc.Computed value |
| LogP (octanol/water) | 1.07calc.Computed value |
| Topological polar surface area | 78.89 ร
ยฒcalc.Computed value |
| Hydrogen bond donors | 0calc.Computed value |
| Hydrogen bond acceptors | 4calc.Computed value |
| Rotatable bonds | 7calc.Computed value |
| Heavy atoms | 22calc.Computed value |
| Rings | 2calc.Computed value |
| Aromatic rings | 2calc.Computed value |
| Fraction sp3 carbons | 0.6calc.Computed value |
| Formal charge | 0calc.Computed value |
| Stereocentres | 0calc.Computed value |
| Lipinski rule of five | Passes (0 violations)calc.Computed value |
Calculated for screening. Confirm critical figures with the supplier.
Murcko scaffold
The ring system that remains when every side chain is removed
O=c1[nH]c(=O)c2[nH]cnc2[nH]1
2 rings, 11 atoms, the Xanthine ring system.
1,880 other chemicals share this scaffoldSafety and hazards
GHS classification summary, not a safety data sheet
Hazard statements
- H302Harmful if swallowed.
- H312Harmful in contact with skin.
- H332Harmful if inhaled.
- H373May cause damage to organs through prolonged or repeated exposure.
Precautionary statements (15)
- P260Do not breathe dust, fume, gas, mist, vapours or spray.
- P261Avoid breathing dust, fume, gas, mist, vapours or spray.
- P264Wash skin thoroughly after handling.
- P270Do not eat, drink or smoke when using this product.
- P271Use only outdoors or in a well-ventilated area.
- P280Wear protective gloves, protective clothing, eye protection and face protection.
- P301 + P317If swallowed: Get medical help.
- P302 + P352If on skin: Wash with plenty of water.
- P304 + P340If inhaled: Remove person to fresh air and keep comfortable for breathing.
- P317Get medical help.
- P319Get medical help if you feel unwell.
- P321Specific treatment (see supplemental first aid instructions on the label).
- P330Rinse mouth.
- P362 + P364Take off contaminated clothing. And wash it before reuse.
- 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 aidPropentofylline suppliers
Sponsored listings first, then the documented ranking: membership, verification, replies, completeness, freshness and ratings
- China, NantongUnclaimed profilePropentofyllineGrade, purity and minimum order on requestPrice on request
- Spain, Alhama de Murcia ManufacturerUnclaimed profilePropentofyllineGrade, purity and minimum order on requestPrice on request
- United States, HoustonUnclaimed profilePropentofyllineGrade, purity and minimum order on requestPrice on request
- United States, HaywardUnclaimed profilePropentofyllineGrade, purity and minimum order on requestPrice on request
- Price on request
- United Kingdom, CorshamUnclaimed profilePropentofyllineGrade, purity and minimum order on requestPrice on request
- United States, HopkintonUnclaimed profilePropentofyllineGrade, purity and minimum order on requestPrice on request
- United States, West ChicagoUnclaimed profilePropentofyllineGrade, purity and minimum order on requestPrice on request
- China, JinanUnclaimed profilePropentofyllineGrade, purity and minimum order on requestPrice on request
- China, NanjingUnclaimed profilePropentofyllineGrade, purity and minimum order on requestPrice on request
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
10 suppliers in 5 countries
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Propentofylline price
Indicative price range per kg from live supplier offers
Suppliers quote this chemical on request. Send one free request and compare quotes side by side.
Uses and applications
What the substance is used for, by industry and function
Use classes: Pharmaceuticals.
Industries and functions
Pharmacological actions
- Neuroprotective Agents
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 Propentofylline is traded under.
Compounds containing a pyrimidine ring (whether or not hydrogenated) or piperazine ring, other
- Ireland43.6%
- Switzerland * partner reported26.3%
- China7.9%
- Slovenia30.3%
- United States30.1%
- Germany15.3%
* Partner reported figures, a lower bound.
The HS code shown for Propentofylline is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.
Frequently asked questions
Quick answers about Propentofylline, based on the data on this page
What is Propentofylline?
What is the CAS number of Propentofylline?
What is the molecular formula and weight of Propentofylline?
What is Propentofylline used for?
Is Propentofylline hazardous?
What is the HS code of Propentofylline?
Where can I buy Propentofylline?
What is the price of Propentofylline?
Guides for buyers
Practical guides that help when you source, ship or handle Propentofylline
- Guide, SafetyHow to read a safety data sheet in 10 minutesA section by section method to pull the essentials out of any 16 section SDS: identity, hazards, composition, storage, PPE, properties, transport and emergency measures.Read
- Guide, SafetyGHS pictograms, signal words and hazard statements explainedA practical guide to the nine GHS pictograms, the signal words Danger and Warning, H and P statements, and how to read a chemical label in seconds.Read
- Guide, Chemical identityCAS registry numbers explainedWhat a CAS number identifies, how the check digit works, why one chemical can have several numbers and what a CAS number cannot tell you about a product.Read
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