ChemSpider 2D Image | (S)-ranolazine | C24H33N3O4

(S)-ranolazine

  • Molecular FormulaC24H33N3O4
  • Average mass427.536 Da
  • Monoisotopic mass427.247101 Da
  • ChemSpider ID32800976

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(S)-ranolazine
1-Piperazineacetamide, N-(2,6-dimethylphenyl)-4-[(2S)-2-hydroxy-3-(2-methoxyphenoxy)propyl]- [ACD/Index Name]
N-(2,6-Dimethylphenyl)-2-{4-[(2S)-2-hydroxy-3-(2-methoxyphenoxy)propyl]-1-piperazinyl}acetamid [German] [ACD/IUPAC Name]
N-(2,6-Dimethylphenyl)-2-{4-[(2S)-2-hydroxy-3-(2-methoxyphenoxy)propyl]-1-piperazinyl}acetamide [ACD/IUPAC Name]
N-(2,6-Diméthylphényl)-2-{4-[(2S)-2-hydroxy-3-(2-méthoxyphénoxy)propyl]-1-pipérazinyl}acétamide [French] [ACD/IUPAC Name]
95635-55-5 [RN]
N-(2,6-dimethylphenyl)-2-{4-[(2S)-2-hydroxy-3-(2-methoxyphenoxy)propyl]piperazin-1-yl}acetamide
Ranolazine [USAN] [Wiki]
UNII-A6IEZ5M406
  • Miscellaneous

    • Chemical Class:

      An <element>N</element>-(2,6-dimethylphenyl)-2-{4-[2-hydroxy-3-(2-methoxyphenoxy)propyl]piperazin-1-yl}acetamide that is the (<stereo>S</stereo>)-enantiomer of ranolazine (the racemate is a drug used for treatment of chronic angina). ChEBI CHEBI:87693
      An N-(2,6-dimethylphenyl)-2-{4-[2-hydroxy-3-(2-methoxyphenoxy)propyl]piperazin-1-yl}acetamide that is the (S)-enantiomer of ranolazine (the racemate is a drug used ; for treatment of chronic angina). ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:87693
      An N-(2,6-dimethylphenyl)-2-{4-[2-hydroxy-3-(2-methoxyphenoxy)propyl]piperazin-1-yl}acetamide that is the (S)-enantiomer of ranolazine (the racemate is a drug used for treatment of chronic angina). ChEBI CHEBI:87693

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

Density: 1.2±0.1 g/cm3
Boiling Point: 624.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 97.2±3.0 kJ/mol
Flash Point: 331.2±31.5 °C
Index of Refraction: 1.586
Molar Refractivity: 122.1±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 3.47
ACD/LogD (pH 5.5): 1.62
ACD/BCF (pH 5.5): 6.18
ACD/KOC (pH 5.5): 73.06
ACD/LogD (pH 7.4): 2.44
ACD/BCF (pH 7.4): 41.48
ACD/KOC (pH 7.4): 490.12
Polar Surface Area: 74 Å2
Polarizability: 48.4±0.5 10-24cm3
Surface Tension: 49.4±3.0 dyne/cm
Molar Volume: 364.0±3.0 cm3

Click to predict properties on the Chemicalize site


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