Product Name

  • Name

    Diprophylline

  • EINECS 207-526-1
  • CAS No. 479-18-5
  • Article Data13
  • CAS DataBase
  • Density 1.57g/cm3
  • Solubility 33 g/100 mL (25 °C) in water
  • Melting Point 161-162 °C(lit.)
  • Formula C10H14N4O4
  • Boiling Point 589.6 °C at 760 mmHg
  • Molecular Weight 254.246
  • Flash Point 310.4 °C
  • Transport Information
  • Appearance white to light yellow crystal powder
  • Safety 36-36/37-26
  • Risk Codes 22-36/37/38
  • Molecular Structure Molecular Structure of 479-18-5 (Diprophylline)
  • Hazard Symbols HarmfulXn, IrritantXi
  • Synonyms Theophylline,7-(2,3-dihydroxypropyl)- (8CI);7-(2,3-Dihydroxypropyl)-1,3-dimethylxanthine;7-(2,3-Dihydroxypropyl)-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione;7-(2,3-Dihydroxypropyl)theophylline;AFI-phyllin;Aristophyllin;Asthmolysin;Astmophysine;Athmolysin;Circain;Coronarin;Diphyllin;Diphylline;Diphylline (pharmaceutical);Diprofillin;Diprophyllin;Glyfyllin;Glyphyllin;Glyphylline;Hyphylline;Isophyllen;Lufyllin;NSC40844;Neophyl;Neostenovasan;Neothyllin;Neothylline;Neutrafil;Neutrafillina;Neutraphylline;Prophyllen;Protheophylline;Purifilin;Silbephylline;Solufilin;Solufyllin;Tefilan;Theal;Theal ampules;Thefulan;
  • PSA 102.28000
  • LogP -2.21310

Diprophylline Chemical Properties

Product Name: Diprophylline (CAS NO.479-18-5)

Molecular Formula: C10H14N4O4
Molecular Weight: 254.24g/mol
Mol File: 479-18-5.mol
EINECS: 207-526-1
Appearance: white to light yellow crystal powder
Melting Point: 161-162 °C(lit.)
Boiling point: 589.6 °C at 760 mmHg
Flash Point: 310.4 °C
Density: 1.57 g/cm3
Water Solubility: 33 g/100 mL (25 °C)
Index of Refraction: 1.688 
Molar Refractivity: 61.49 cm3 
Molar Volume: 161.1 cm3 
Surface Tension: 66.8 dyne/cm
Enthalpy of Vaporization: 92.54 kJ/mol
Vapour Pressure: 9.57E-15 mmHg at 25°C
XLogP3-AA: -1.8
H-Bond Donor: 2
H-Bond Acceptor: 5
Structure Descriptors of Diprophylline (CAS NO.479-18-5):
  IUPAC Name: 7-(2,3-dihydroxypropyl)-1,3-dimethylpurine-2,6-dione
  Canonical SMILES: CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(CO)O
  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 
  InChIKey: KSCFJBIXMNOVSH-UHFFFAOYSA-N
Product Categories: Alkaloids

Diprophylline Toxicity Data With Reference

1.    

scu-rat LD50:1253 mg/kg

     AEPPAE    Naunyn-Schmiedebergs Archiv fuer Experimentelle Pathologie und Pharmakologie. 230 (1957),194.
2.    

ivn-rat LD50:860 mg/kg

     AEPPAE    Naunyn-Schmiedebergs Archiv fuer Experimentelle Pathologie und Pharmakologie. 230 (1957),194.
3.    

orl-mus LD50:1954 mg/kg

     JPETAB    Journal of Pharmacology and Experimental Therapeutics. 116 (1956),343.
4.    

ipr-mus LD50:1052 mg/kg

     ARZNAD    Arzneimittel-Forschung. Drug Research. 8 (1958),190.
5.    

scu-mus LD50:120 mg/kg

     ARZNAD    Arzneimittel-Forschung. Drug Research. 6 (1956),601.
6.    

ivn-mus LD50:1080 mg/kg

     RPOBAR    Research Progress in Organic Biological and Medicinal Chemistry. 2 (1970),288.

Diprophylline Consensus Reports

Reported in EPA TSCA Inventory.

Diprophylline Safety Profile

Safety Information of Diprophylline (CAS NO.479-18-5):
Hazard Codes: XnHarmful,XiIrritant
Risk Statements: 22-36/37/38  
R22:Harmful if swallowed. 
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 36-36/37-26
S36:Wear suitable protective clothing. 
S36/37:Wear suitable protective clothing and gloves. 
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
WGK Germany: 3
RTECS: XH5100000

Diprophylline Specification

 Diprophylline , its CAS NO. is 479-18-5, the synonyms are 7-(2,3-Dihydroxypropyl)theophylline ; 7-(2,3-Dihydroxypropyl)-1,3-dimethyl-purine-2,6-dione .

Related Products

Hot Products

Post buying leads

About|Contact|Cas|Product Name|Molecular|Country|Encyclopedia

Message|New Cas|MSDS|Service|Advertisement|CAS DataBase|Article Data|Manufacturers | Chemical Catalog

©2008 LookChem.com,License: ICP

NO.:Zhejiang16009103

complaints:service@lookchem.com Desktop View