Pentoxifylline
Properties
- Molecular formula
- C13H18N4O3
- Molar mass
- 278.31 g/mol
- Exact mass
- 278.1379 Da
- Density
- 1.3 g/mL
- Melting point
- 105 °C
- logP
- 0.19Crippen estimate
- Polar surface area
- 78.9 Ų
- H-bond donors / acceptors
- 0 / 4
- Rotatable bonds
- 5
Hazards
Warning
- H302 Harmful if swallowed95.5% of notifiers
Aggregated from 67 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P264, P270, P301+P317, P330, P501
Identifiers
CAS number
6493-05-6SMILES
CC(=O)CCCCn1c(=O)c2c(ncn2C)n(C)c1=OInChIKey
BYPFEZZEUUWMEJ-UHFFFAOYSA-NInChI
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,4-7H2,1-3H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
31 names · show all
- 1H-Purine-2,6-dione, 3,7-dihydro-3,7-dimethyl-1-(5-oxohexyl)-
- Theobromine, 1-(5-oxohexyl)-
- 3,7-Dihydro-3,7-dimethyl-1-(5-oxohexyl)-1H-purine-2,6-dione
- 1-(5-Oxohexyl)-3,7-dimethylxanthine
- 3,7-Dimethyl-1-(5-oxohexyl)xanthine
- BL 191
- Trental
- Dimethyloxohexylxanthine
- 1-(5-Oxohexyl)theobromine
- 3,7-Dimethyl-1-(5-oxohexyl)-1H,3H-purin-2,6-dione
- Pentoxifyllin
- Oxpentifylline
- Torental
- Agapurin retard
- Pentoxiphylline
- PTX
- Vazofirin
- Azupentat
- Rentylin
- Durapental
- NSC 637086
- Agapurin
- Vasotal
- Pexal
- EHT 0202
- Polfilin
- Pentoxyfarm
- Pentoxifilline
- 3,7-Dimethyl-1-(5-oxohexyl)-1H-purine-2,6(3H,7H)-dione
- 3,7-Dimethyl-1-(5-oxo-hexyl)-3,7-dihydro-purine-2,6-dione
- 3,7-Dimethyl-1-(5-oxohexyl)purine-2,6-dione
Work with Pentoxifylline
Similar compounds
Pentifylline1028-33-770 % similar
1-(3-Chloropropyl)theobromine74409-52-268 % similar
Caffeine58-08-255 % similar
Caffeine monohydrate5743-12-452 % similar
1,3-Dipropyl-7-methylxanthine31542-63-952 % similar
Etofylline519-37-940 % similar
Acefylline652-37-939 % similar
Proxyphylline603-00-937 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds