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Basic Information
CAS No.: 479-18-5
Name: Diprophylline
Article Data: 13
Molecular Structure:
Molecular Structure of 479-18-5 (Diprophylline)
Formula: C10H14N4O4
Molecular Weight: 254.246
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;
EINECS: 207-526-1
Density: 1.57g/cm3
Melting Point: 161-162 °C(lit.)
Boiling Point: 589.6 °C at 760 mmHg
Flash Point: 310.4 °C
Solubility: 33 g/100 mL (25 °C) in water
Appearance: white to light yellow crystal powder
Hazard Symbols: HarmfulXn, IrritantXi
Risk Codes: 22-36/37/38
Safety: 36-36/37-26
PSA: 102.28000
LogP: -2.21310
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  • DiprophyllineCAS NO.: 479-18-5

  • Casno:

    479-18-5

    DiprophyllineCAS NO.: 479-18-5

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    Diprophylline

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  • Diprophylline

  • Casno:

    479-18-5

    Diprophylline

    Min.Order: 1 Gram

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    Diprophylline Basic information Product Name: Diprophylline Synonyms: 7-(2,3-Dihydroxypropyl)-1,3-dimethylxanthine;1H-Purine-2,6-dione, 7-(2,3-dihydroxypropyl)-3,7-dihydro-1,3-dimethyl-;1h-purine-2,6-dione,7-(2,3-dihydroxypropyl)-3,7-dihydro-1

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  • Casno:

    479-18-5

    Diprophylline

    Min.Order: 1 Kilogram

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    Diprophylline

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  • Casno:

    479-18-5

    Diprophylline

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Chemistry

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

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.

Consensus Reports

Reported in EPA TSCA Inventory.

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

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 .