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Home Page Flashcards Benzhydramine HCl C17H22ClNO structure - Flashcards

Benzhydramine HCl C17H22ClNO structure – Flashcards

Flashcard maker : Larry Charles

Molecular Formula C17H22ClNO
Average mass 291.816 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:

      170 °C TCI D0423
      166-169 °C Oxford University Chemical Safety Data (No longer updated) More details
      166 °C LKT Labs
      [D3462]
      168-169 °C Alfa Aesar A10136
      168 °C Biosynth Q-201003
      182-184 °C LabNetwork LN00216146
      168-169 °C LabNetwork LN00216146

    • Experimental Flash Point:

      102 °C Biosynth Q-201003

    • Experimental Gravity:

      102 g/mL Biosynth Q-201003

    • Experimental Solubility:

      10 mM in DMSO MedChem Express HY-B0303A
      DMSO 58 mg/ml MedChem Express HY-B0303A
      Soluble in acetone, water, and alcohol. Slightly soluble in benzene or ether. LKT Labs
      [D3462]
      Soluble to 100 mM in water Tocris Bioscience 3072
  • Predicted Physico-chemical Properties

    • Predicted Melting Point:

      170 °C TCI
      170 °C TCI D0423
  • Miscellaneous

    • Appearance:

      white crystalline powder Oxford University Chemical Safety Data (No longer updated) More details

    • Stability:

      Stable, but slowly darkens upon exposure to light. Incompatible withstrong oxidizing agents. Oxford University Chemical Safety Data (No longer updated) More details

    • Toxicity:

      ORL-RAT LD50 500 mg kg-1, IVN-RAT LD50 35 mg kg-1, ORL-MUS LD50 114 mg kg-1, IPR-MAM LD50 80 mg kg-1 Oxford University Chemical Safety Data (No longer updated) More details

    • Safety:

      20-26-36/37-45-60 Alfa Aesar A10136
      25-36/37/38-40-63 Alfa Aesar A10136
      6.1 Alfa Aesar A10136
      GHS07 Biosynth Q-201003
      H302 Biosynth Q-201003
      H302 LKT Labs
      [D3462]
      H351-H361-H302-H315-H319-H335 Alfa Aesar A10136
      Not Dangerous Goods LKT Labs
      [D3462]
      P261-P280-P281-P305+P351+P338-P405-P501a Alfa Aesar A10136
      P301+P312; P330 Biosynth Q-201003
      R22 LKT Labs
      [D3462]
      Safety glasses, good ventilation, gloves. Oxford University Chemical Safety Data (No longer updated) More details
      Warning Alfa Aesar A10136
      Warning Biosynth Q-201003
      Xn Abblis Chemicals AB1009368
      Xn LKT Labs
      [D3462]

    • Target Organs:

      Histamine Receptor TargetMol T0330

    • Compound Source:

      synthetic Microsource
      [01500256]

    • Bio Activity:

      7-TM Receptors Tocris Bioscience 3072
      Diphenhydramine HCl (Benadryl), a histamine H1 antagonist used as an antiemetic, antitussive, for dermatoses and pruritus, for hypersensitivity reactions, as a hypnotic, an antiparkinson, and as an in
      gredient in common cold preparations. MedChem Express
      Diphenhydramine HCl (Benadryl), a histamine H1 antagonist used as an antiemetic, antitussive, for dermatoses and pruritus, for hypersensitivity reactions, as a hypnotic, an antiparkinson, and as an ingredient in common cold preparations.; Target: Histamine H1 receptor; Diphenhydramine HCl (Benadryl), a histamine H1 antagonist used as an antiemetic, antitussive, for dermatoses and pruritus, for hypersensitivity reactions, as a hypnotic, an antiparkinson, and as an ingredient in common cold preparations. MedChem Express HY-B0303A
      Diphenhydramine HCl (Benadryl), a histamine H1 antagonist used as an antiemetic, antitussive, for dermatoses and pruritus, for hypersensitivity reactions, as a hypnotic, an antiparkinson, and as an ingredient in common cold preparations.;Target: Histamine H1 receptorDiphenhydramine HCl (Benadryl), a histamine H1 antagonist used as an antiemetic, antitussive, for dermatoses and pruritus, for hypersensitivity reactions, as a hypnotic, an antiparkinson, and as an ingredient in common cold preparations. It has some undesired antimuscarinic and sedative effects. Diphenhydramine competes with free histamine for binding at HA-receptor sites. This antagonizes the effects of histamine on HA-receptors, leading to a reduction of the negative symptoms brought on by histamine HA-receptor binding. MedChem Express HY-B0303A
      GPCR/G protein MedChem Express HY-B0303A
      GPCR/G protein; MedChem Express HY-B0303A
      H1 receptor antagonist Tocris Bioscience 3072
      H1 receptor antagonist. Antihistamine. Tocris Bioscience 3072
      Histamine H1 receptor TargetMol T0330
      Histamine H1 Receptors Tocris Bioscience 3072
      Histamine Receptor MedChem Express HY-B0303A
      Histamine Receptors Tocris Bioscience 3072
      Neuroscience TargetMol T0330

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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