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Home Page Flashcards Fexofenadine hydrochloride C32H40ClNO4 structure - Flashcards

Fexofenadine hydrochloride C32H40ClNO4 structure – Flashcards

Flashcard maker : Jonathan Walsh

Molecular Formula C32H40ClNO4
Average mass 538.117 Da
Density
Boiling Point
Flash Point
Molar Refractivity
Polarizability
Surface Tension
Molar Volume
  • Experimental data
  • Predicted – ACD/Labs
  • Predicted – ChemAxon
  • Predicted – Mcule
  • Experimental Physico-chemical Properties

    • Experimental Melting Point:

      148-150 °C LKT Labs
      [F1895]
      190-192 °C LabNetwork LN00176769

    • Experimental Boiling Point:

      697.3 °C LKT Labs
      [F1895]

    • Experimental Solubility:

      50 mM in DMSO MedChem Express http://www.medchemexpress.com/Terbutaline-sulfate.html
      DMSO to 50 mM, water to 2 mg/mL, ethanol to 107 mg/mL, methanol LKT Labs
      [F1895]
      DMSO:50mg/mL MedChem Express HY-B0801A
      Soluble in DMSO Axon Medchem 1453
      Soluble to 50 mM in DMSO Tocris Bioscience 2429
  • Miscellaneous

    • Safety:

      5 Axon Medchem 1453
      H303;H313;H317;H333;H334;H335;H373 Axon Medchem 1453
      IRRITANT Matrix Scientific 076066
      no pictogram Axon Medchem 1453
      None LKT Labs
      [F1895]
      P101;P102;P103;P260;P262;P263;P264;P270;P280;P304;P312;P340 Axon Medchem 1453
      Warning Axon Medchem 1453

    • Target Organs:

      Histamine Receptor antagonist TargetMol T1470, T1470L

    • Drug Status:

      approved BIONET-Key Organics KS-1057

    • Compound Source:

      synthetic Microsource
      [01504179]

    • Bio Activity:

      7-TM Receptors Tocris Bioscience 2429
      Fexofenadine is a third-generation antihistamine pharmaceutical drug used in the treatment of allergy symptoms, such as hay fever, nasal congestion, and urticaria. MedChem Express http://www.medchemexpress.com/Terbutaline-sulfate.html, HY-B0801A
      GPCR/G protein MedChem Express HY-B0801A
      GPCR/G protein; MedChem Express HY-B0801A
      H1 receptor antagonist; non-sedating antiallergic agent Tocris Bioscience 2429
      Histamine H1 receptor TargetMol T1470, T1470L
      Histamine H1 Receptors Tocris Bioscience 2429
      Histamine Receptor MedChem Express HY-B0801A
      Histamine Receptors Tocris Bioscience 2429
      Neuroscience TargetMol T1470, T1470L
      Selective histamine H1 receptor antagonist (pKi = 8.1). Active metabolite of terfenadine that displays non-sedating antiallergic effects. Tocris Bioscience 2429

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

No predicted properties have been calculated for this compound.

Density:
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors:
#H bond donors:
#Freely Rotating Bonds:
#Rule of 5 Violations:
ACD/LogP:
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area:
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site

  • 1-Click Docking
  • 1-Click Scaffold Hop

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