Product Name

  • Name

    Vestphylline

  • EINECS
  • CAS No. 102367-57-7
  • Density 1.2g/cm3
  • Solubility
  • Melting Point
  • Formula C25H35N5O4
  • Boiling Point 634.2°Cat760mmHg
  • Molecular Weight 469.65
  • Flash Point 337.3°C
  • Transport Information
  • Appearance
  • Safety Poison by intravenous route. Moderately toxic by ingestion and intraperitoneal routes. When heated to decomposition it emits toxic fumes of NOx.
  • Risk Codes
  • Molecular Structure Molecular Structure of 102367-57-7 (Vestphylline)
  • Hazard Symbols
  • Synonyms alpha-((Diisobutylamino)methyl)theophylline-8-ethanol benzoate (ester);7-(3-Diisobutylamino-2-benzoyloxypropyl)theophylline;Theophylline-8-ethanol, alpha-((diisobutylamino)methyl)-, benzoate (ester);
  • PSA 102.22000
  • LogP 2.34240

Diisobutylaminobenzoyloxypropyl theophylline Chemical Properties

IUPAC  Name: [1-[bis(2-Methylpropyl)amino]-3-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)propan-2-yl] benzoate    
Molecular Formula: C25H35N5O4
Molecular Weight: 469.65
Freely Rotating Bonds: 11
Polar Surface Area: 87.98 Å2
Index of Refraction: 1.591
Molar Refractivity: 131.831 cm3
Molar Volume: 390.077 cm3
Polarizability: 52.262 ×10-24 cm3
Surface Tension: 43.633 dyne/cm
Density: 1.204 g/cm3
Flash Point: 337.326 °C
Enthalpy of Vaporization: 93.732 kJ/mol
Boiling Point: 634.156 °C at 760 mmHg 
The Cas Register Number of  Diisobutylaminobenzoyloxypropyl theophylline is 102367-57-7.The chemical synonyms of  Diisobutylaminobenzoyloxypropyl theophylline (CAS NO.102367-57-7) are 7-(3-Diisobutylamino-2-benzoyloxypropyl)theophylline  ; Vestphyllin  ; alpha-((Diisobutylamino)methyl)theophylline-8-ethanol benzoate  and  Theophylline-8-ethanol, alpha-((diisobutylamino)methyl)-, benzoate .The molecular structure of  Diisobutylaminobenzoyloxypropyl theophylline (CAS NO.102367-57-7) is.

Diisobutylaminobenzoyloxypropyl theophylline Uses

  Diisobutylaminobenzoyloxypropyl theophylline (CAS NO.102367-57-7) is used in organic synthesis.

Diisobutylaminobenzoyloxypropyl theophylline Toxicity Data With Reference

1.    

orl-mus LD50:2567 mg/kg

    NIIRDN    “Drugs in Japan. Ethical Drugs, 6th Edition 1982“ Edited by Japan Pharmaceutical Information Center. 6 (1982),306.
2.    

ipr-mus LD50:1835 mg/kg

    NIIRDN    “Drugs in Japan. Ethical Drugs, 6th Edition 1982“ Edited by Japan Pharmaceutical Information Center. 6 (1982),306.
3.    

ivn-mus LD50:273 mg/kg

    NIIRDN    “Drugs in Japan. Ethical Drugs, 6th Edition 1982“ Edited by Japan Pharmaceutical Information Center. 6 (1982),306.

Diisobutylaminobenzoyloxypropyl theophylline Safety Profile

Poison by intravenous route. Moderately toxic by ingestion and intraperitoneal routes. When heated to decomposition it emits toxic fumes of NOx.

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