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Home Page Flashcards Dasabuvir C26H27N3O5S structure - Flashcards

Dasabuvir C26H27N3O5S structure – Flashcards

Flashcard maker : Tara Rose

Molecular Formula C26H27N3O5S
Average mass 493.575 Da
Density 1.3±0.1 g/cm3
Boiling Point
Flash Point
Molar Refractivity 135.2±0.4 cm3
Polarizability 53.6±0.5 10-24cm3
Surface Tension 55.7±3.0 dyne/cm
Molar Volume 374.6±3.0 cm3
  • Experimental data
  • Predicted – ACD/Labs
  • Predicted – ChemAxon
  • Experimental Physico-chemical Properties

    • Experimental Solubility:

      10 mM in DMSO MedChem Express HY-13998
  • Miscellaneous

    • Bio Activity:

      ABT-333 is an NS5B non-nucleoside polymerase inhibitor. MedChem Express
      ABT-333 is an NS5B non-nucleoside polymerase inhibitor.; IC50 value: ; Target: HCV NS5B; in vitro: ; in vivo: All patients received ABT-333 (400 mg twice daily) and ribavirin (1000 to 1200 mg per day) and one of two daily doses of ABT-450/r. MedChem Express HY-13998
      ABT-333 is an NS5B non-nucleoside polymerase inhibitor.;IC50 value: ;Target: HCV NS5B;In vitro: ;In vivo: All patients received ABT-333 (400 mg twice daily) and ribavirin (1000 to 1200 mg per day) and one of two daily doses of ABT-450/r. Groups 1 and 2 included previously untreated patients; group 1 received 250 mg of ABT-450 and 100 mg of ritonavir, and group 2 received 150 mg and 100 mg, respectively. Group 3, which included patients who had had a null or partial response to previous therapy with peginterferon and ribavirin, received daily doses of 150 mg of ABT-450 and 100 mg of ritonavir [1]. An interferon-free combination of the protease inhibitor ABT-450 with ritonavir (ABT-450/r), the nonnucleoside polymerase inhibitor ABT-333, and ribavirin showed efficacy against the hepatitis C virus (HCV) in a pilot study involving patients with HCV genotype 1 infection [2]. MedChem Express HY-13998
      Anti-infection MedChem Express HY-13998
      Anti-infection; MedChem Express HY-13998
      HCV MedChem Express HY-13998

Predicted data is generated using the ACD/Labs Percepta Platform – PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.641
Molar Refractivity: 135.2±0.4 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.68
ACD/LogD (pH 5.5): 3.40
ACD/BCF (pH 5.5): 226.04
ACD/KOC (pH 5.5): 1684.99
ACD/LogD (pH 7.4): 3.37
ACD/BCF (pH 7.4): 208.19
ACD/KOC (pH 7.4): 1551.96
Polar Surface Area: 113 Å2
Polarizability: 53.6±0.5 10-24cm3
Surface Tension: 55.7±3.0 dyne/cm
Molar Volume: 374.6±3.0 cm3

Click to predict properties on the Chemicalize site

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