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Home Page Flashcards Alocaine C13H21ClN2O2 structure - Flashcards

Alocaine C13H21ClN2O2 structure – Flashcards

Flashcard maker : Ruth Blanco

Molecular Formula C13H21ClN2O2
Average mass 272.771 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:

      156 °C TCI A1163
      155-156 °C (Literature) Indofine
      [021689]
      155-157 °C Alfa Aesar
      154 °C Oxford University Chemical Safety Data (No longer updated) More details
      155-157 °C Alfa Aesar A17485
      155-156 °C (Literature) Indofine
      [021689]
      ,
      [021689]

    • Experimental Boiling Point:

      195-196 deg C / 17 mm (358.9667-360.2854 °C / 760 mmHg)
      Alfa Aesar
      195-196 °C / 17 mm (358.9667-360.2854 °C / 760 mmHg)
      Alfa Aesar A17485

    • Experimental Solubility:

      10 mM in DMSO MedChem Express HY-B0546A
      DMSO 55 mg/mL; Water 55 mg/mL MedChem Express HY-B0546A
  • Predicted Physico-chemical Properties

    • Predicted Melting Point:

      156 °C TCI
      156 °C TCI A1163
  • Miscellaneous

    • Appearance:

      white crystalline powder Oxford University Chemical Safety Data (No longer updated) More details
      WHITE CRYSTALS NIH Clinical Collection
      [SMR000718771]

    • Stability:

      Stable. Incompatible with strong oxidizing agents. Oxford University Chemical Safety Data (No longer updated) More details

    • Toxicity:

      ORL-RAT LD50 200 mg kg-1, IPR-RAT LD50 184 mg kg-1, IVN-RAT LD50 38 mg kg-1, SCU-MUS LD50 339 mg kg-1 Oxford University Chemical Safety Data (No longer updated) More details

    • Safety:

      20-36-45-60 Alfa Aesar A17485
      25 Alfa Aesar A17485
      6.1 Alfa Aesar A17485
      Danger Alfa Aesar A17485
      Danger Biosynth W-105920
      DANGER: POISON, causes CNS injury Alfa Aesar A17485
      GHS06 Biosynth W-105920
      H301 Alfa Aesar A17485
      H301; H317 Biosynth W-105920
      P264-P270-P301+P310-P321-P405-P501a Alfa Aesar A17485
      P280; P301+P310 Biosynth W-105920
      Safety glasses. Oxford University Chemical Safety Data (No longer updated) More details
      T Abblis Chemicals AB1009379

    • Target Organs:

      5-HT Receptor antagonist ;Sodium Channel inhibitor;Glutamate receptor antagonist;Dopamine uptake inhibitor;AChR antagonist;ChE inhibitor TargetMol T0802

    • Drug Status:

      approved BIONET-Key Organics KS-5259

    • Compound Source:

      synthetic Microsource
      [01500504]

    • Bio Activity:

      5-HT3 receptor ;Sodium channel;NMDA receptor;Sodium-dependent dopamine transporter; Neuronal AChR;ChE TargetMol T0802
      Neuroscience TargetMol T0802
      Others MedChem Express HY-B0546A
      Procaine Hydrochloride is a local anesthetic drug of the amino ester group. MedChem Express
      Procaine Hydrochloride is a local anesthetic drug of the amino ester group.; Target: Others; Procaine is a local anesthetic of the ester type that has a slow onset and a short duration of action.Procaine (0.01-100 microM) inhibited the 5-HT3 receptor-mediated inward current in the whole-cell patch clamp recording. MedChem Express HY-B0546A
      Procaine Hydrochloride is a local anesthetic drug of the amino ester group.;Target: Procaine is a local anesthetic of the ester type that has a slow onset and a short duration of action.Procaine (0.01-100 microM) inhibited the 5-HT3 receptor-mediated inward current in the whole-cell patch clamp recording. Procaine appears to produce a competitive inhibition on 5-HT3 receptors with a KD of 1.7 microM [1]. Procaine is a DNA-demethylating agent that produces a 40% reduction in 5-methylcytosine DNA content as determined by high-performance capillary electrophoresis or total DNA enzyme digestion. Procaine can also demethylate densely hypermethylated CpG islands. Procaine also has growth-inhibitory effects in these cancer cells, causing mitotic arrest [2]. Procaine functions as an excitant of limbic system cells, and that procaine alters synaptic transmission in some, but not all, output pathways from the amygdale [3]. MedChem Express HY-B0546A

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

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