ChemSpider 2D Image | ITH12575 | C18H18ClNOS

ITH12575

  • Molecular FormulaC18H18ClNOS
  • Average mass331.860 Da
  • Monoisotopic mass331.079773 Da
  • ChemSpider ID58830938

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

1802013-08-6 [RN]
4,1-Benzothiazepin-2(3H)-one, 7-chloro-1,5-dihydro-5-[2-(1-methylethyl)phenyl]- [ACD/Index Name]
7-Chlor-5-(2-isopropylphenyl)-1,5-dihydro-4,1-benzothiazepin-2(3H)-on [German] [ACD/IUPAC Name]
7-Chloro-5-(2-isopropylphenyl)-1,5-dihydro-4,1-benzothiazepin-2(3H)-one [ACD/IUPAC Name]
7-Chloro-5-(2-isopropylphényl)-1,5-dihydro-4,1-benzothiazépin-2(3H)-one [French] [ACD/IUPAC Name]
7-Chloro-5-(2'-isopropylphenyl)-3,5-dihydro-4,1-benzothiazepin-2-(1H)-one
ITH12575
MFCD30720887
[1802013-08-6] [RN]
7-​Chloro-​1,​5-​dihydro-​5-​[2-​(1-​methylethyl)​phenyl]​-4,​1-benzothiazepin-​2(3H)​-​one
More...
  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Bio Activity:

      Ion Pumps/Transporters Tocris Bioscience 5692
      Mitochondrial Na+/Ca2+ exchange (mNCX) inhibitor. Tocris Bioscience 5692
      Mitochondrial Na+/Ca2+ exchange (mNCX) inhibitor. Reduces Ca2+ efflux from the mitochondria to the cytosol in HeLa cells (EC50 = 0.69 ?M). Protects against glutamate-induced excitotoxitiy in rat hippocampal slices and oligomycin A/rotenone induced oxidative stress in neuroblastoma cells in vitro. Tocris Bioscience 5692
      Mitochondrial Na+/Ca2+ exchange (mNCX) inhibitor. Reduces Ca2+ efflux from the mitochondria to the cytosol in HeLa cells (EC50 = 0.69 muM). Protects against glutamate-induced excitotoxitiy in rat hippocampal slices and oligomycin A/rotenone induced oxidative stress in neuroblastoma cells in vitro. Tocris Bioscience 5692
      Na+/Ca2+ Exchanger Tocris Bioscience 5692
      Transporters Tocris Bioscience 5692

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 484.5±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.0±3.0 kJ/mol
Flash Point: 246.8±28.7 °C
Index of Refraction: 1.604
Molar Refractivity: 93.6±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 5.76
ACD/LogD (pH 5.5): 5.10
ACD/BCF (pH 5.5): 4417.14
ACD/KOC (pH 5.5): 14150.90
ACD/LogD (pH 7.4): 5.10
ACD/BCF (pH 7.4): 4417.13
ACD/KOC (pH 7.4): 14150.87
Polar Surface Area: 54 Å2
Polarizability: 37.1±0.5 10-24cm3
Surface Tension: 44.7±3.0 dyne/cm
Molar Volume: 272.2±3.0 cm3

Click to predict properties on the Chemicalize site


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