ChemSpider 2D Image | 2-Oxo-clopidogrel | C16H16ClNO3S

2-Oxo-clopidogrel

  • Molecular FormulaC16H16ClNO3S
  • Average mass337.821 Da
  • Monoisotopic mass337.053955 Da
  • ChemSpider ID28518812

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

(2S)-(2-Chlorophényl)(2-oxo-2,6,7,7a-tétrahydrothiéno[3,2-c]pyridin-5(4H)-yl)acétate de méthyle [French] [ACD/IUPAC Name]
1147350-75-1 [RN]
2-Oxo-clopidogrel
Methyl (2S)-(2-chlorophenyl)(2-oxo-2,6,7,7a-tetrahydrothieno[3,2-c]pyridin-5(4H)-yl)acetate [ACD/IUPAC Name]
methyl (2S)-2-(2-chlorophenyl)-2-{2-oxo-2H,4H,5H,6H,7H,7aH-thieno[3,2-c]pyridin-5-yl}acetate
Methyl-(2S)-(2-chlorphenyl)(2-oxo-2,6,7,7a-tetrahydrothieno[3,2-c]pyridin-5(4H)-yl)acetat [German] [ACD/IUPAC Name]
Thieno[3,2-c]pyridine-5(4H)-acetic acid, α-(2-chlorophenyl)-2,6,7,7a-tetrahydro-2-oxo-, methyl ester, (αS)- [ACD/Index Name]
(?S)?-?-?(2-?chlorophenyl)?-?2,?6,?7,?7a-?tetrahydro-?2-?oxo-Thieno[3,?2-?c]?pyridine-?5(4H)?-?acetic acid?, methyl ester
(2S)methyl 2-(2-chlorophenyl)-2-(2-oxo-7,7a-dihydrothieno[3,2-c]pyridin-5(2H,4H,6H)-yl)acetate
(2S)-Methyl 2-(2-chlorophenyl)-2-(2-oxo-7,7a-dihydrothieno[3,2-c]pyridin-5(2H,4H,6H)-yl)acetate
More...

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

0IX303KU54 [DBID]
UNII:0IX303KU54 [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Bio Activity:

      Clopidogrel thiolactone is a P2Y12 receptor inhibitor, is a potent antiplatelet agent. MedChem Express
      Clopidogrel thiolactone is a P2Y12 receptor inhibitor, is a potent antiplatelet agent.; Target: P2Y12; Clopidogrel thiolactone is the metabolic intermediate resulting from the first oxidative activation of clopidogrel. MedChem Express HY-15876
      Clopidogrel thiolactone is a P2Y12 receptor inhibitor, is a potent antiplatelet agent.;Target: P2Y12Clopidogrel thiolactone is the metabolic intermediate resulting from the first oxidative activation of clopidogrel. MedChem Express HY-15876
      GPCR/G protein MedChem Express HY-15876
      GPCR/G protein; MedChem Express HY-15876
      P2Y Receptor MedChem Express HY-15876

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

Density: 1.4±0.1 g/cm3
Boiling Point: 488.1±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.4±3.0 kJ/mol
Flash Point: 249.0±28.7 °C
Index of Refraction: 1.640
Molar Refractivity: 87.3±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.96
ACD/LogD (pH 5.5): 3.11
ACD/BCF (pH 5.5): 135.45
ACD/KOC (pH 5.5): 1165.57
ACD/LogD (pH 7.4): 3.11
ACD/BCF (pH 7.4): 136.54
ACD/KOC (pH 7.4): 1174.94
Polar Surface Area: 72 Å2
Polarizability: 34.6±0.5 10-24cm3
Surface Tension: 58.9±5.0 dyne/cm
Molar Volume: 242.5±5.0 cm3

Click to predict properties on the Chemicalize site


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