Diprophylline

C10H14N4O4CAS 479-18-5254.25 g/mol

Open in Covalent MOL file
NONNOHOHNO
Alcohol

Properties

Molecular formula
C10H14N4O4
Molar mass
254.25 g/mol
Exact mass
254.1015 Da
Melting point
158 °C
logP
-2.21Crippen estimate
Polar surface area
102.3 Ų
H-bond donors / acceptors
2 / 5
Rotatable bonds
3

Hazards

Warning
Irritant (GHS07)

Aggregated from 61 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P270, P271, P301+P317, P304+P340, P317, P330, P501

Identifiers

CAS number
479-18-5
SMILES
Cn1c(=O)c2c(ncn2CC(O)CO)n(C)c1=O
InChIKey
KSCFJBIXMNOVSH-UHFFFAOYSA-N
InChI
InChI=1S/C10H14N4O4/c1-12-8-7(9(17)13(2)10(12)18)14(5-11-8)3-6(16)4-15/h5-6,15-16H,3-4H2,1-2H3

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

69 names · show all
  • 1H-Purine-2,6-dione, 7-(2,3-dihydroxypropyl)-3,7-dihydro-1,3-dimethyl-
  • Theophylline, 7-(2,3-dihydroxypropyl)-
  • 7-(2,3-Dihydroxypropyl)-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione
  • AFI-phyllin
  • Astrophyllin
  • Corphyllin
  • 7-(2,3-Dihydroxypropyl)theophylline
  • Dyphylline
  • Glyfyllin
  • Glyphylline
  • Hyphylline
  • Neostenovasan
  • Neothylline
  • Neotilina
  • Neutrafil
  • Neutraphylline
  • Solufilin
  • Solufyllin
  • Theal
  • Thefylan
  • neo-Vasophylline
  • Neophyllin
  • Neophylline
  • 7-(2,3-Dihydroxypropyl)-1,3-dimethylxanthine
  • Circain
  • Coronarin
  • Cor-theophylline
  • Hiphyllin
  • Lufyllin
  • Silbephylline
  • Diprophyllin
  • Diprofillin
  • Aristophyllin
  • Diphyllin
  • Coronal
  • Neutraphyllin
  • Silbephyllin
  • Soluphyllin
  • Tefilan
  • Teofen
  • Hidroxiteofillina
  • Propyphyllin
  • Neufil
  • Synthophylline
  • Purifilin
  • Neutrafillina
  • Neutroxantina
  • 7-(β,γ-Dihydroxypropyl)theophylline
  • Glyphyllin
  • Protheophylline
  • Neophyllin M
  • Diphylline
  • Diphylline (pharmaceutical)
  • Neothyllin
  • Astmophysine
  • Asthmolysin
  • Isophyllen
  • Prophyllen
  • Athmolysin
  • Theal ampules
  • Astmamasit
  • Thefulan
  • Cor-theophyllin
  • Circair
  • Neophyl
  • Dilor
  • NSC 14305
  • NSC 40844
  • (Rac)-diprophylline

Work with Diprophylline

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Proxyphylline603-00-972 % similar Etofylline519-37-964 % similar Doxofylline69975-86-663 % similar Acefylline652-37-958 % similar Caffeine58-08-252 % similar Xanthinol nicotinate437-74-151 % similar Caffeine monohydrate5743-12-449 % similar Theofibrate54504-70-040 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook