ChemSpider 2D Image | Eliglustat | C23H36N2O4

Eliglustat

  • Molecular FormulaC23H36N2O4
  • Average mass404.543 Da
  • Monoisotopic mass404.267517 Da
  • ChemSpider ID28475348
  • defined stereocentres - 2 of 2 defined stereocentres


More details:



Featured data source



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

491833-29-5 [RN]
9325
Cerdelga [Trade name]
DR40J4WA67
Eliglustat [Spanish] [INN]
éliglustat [French] [INN]
Eliglustatum [Latin] [INN]
N-[(1R,2R)-1-(2,3-Dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-(1-pyrrolidinyl)-2-propanyl]octanamid [German] [ACD/IUPAC Name]
N-[(1R,2R)-1-(2,3-Dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-(1-pyrrolidinyl)-2-propanyl]octanamide [ACD/IUPAC Name]
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

Genz-99067 [DBID]
Genz 99067 [DBID]
Genz-112638 [DBID]
  • Miscellaneous
    • Safety:

      A16AX10 Wikidata Q21011224
    • Chemical Class:

      A carboxamide obtained by formal condensation of the carboxy group of octanoic acid with the primary amino group of (1<stereo>R</stereo>,2<stereo>R</stereo>)-2-amino-1-(2,3-dihydro-1,4-benzodioxin-6-y l)-3-(pyrrolidin-1-yl)propan-1-ol. A ceramide glucosyltransferase inhibitor used (as its tartrate salt) for treatment of Gaucher's disease. ChEBI CHEBI:82752
    • Bio Activity:

      Eliglustat is a specific and potent inhibitor of glucosylceramide synthase.;Target: glucosylceramide synthase.Eliglustat is a new promising substrate reduction therapy (SRT). [1] Eliglustat works by inhibiting UDP-glucosylceramide synthase, the first enzyme that catalyzes the biosynthesis of glycosphingolipids, thus reducing the load of glucosylceramide influx into the lysosome.Eliglustat tartrate is a potent ceramide analog and has a selective inhibitory action on GLC synthase. [2] MedChem Express HY-14885

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point: 615.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 96.0±3.0 kJ/mol
Flash Point: 326.1±31.5 °C
Index of Refraction: 1.543
Molar Refractivity: 113.4±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 0
ACD/LogP: 3.61
ACD/LogD (pH 5.5): 0.73
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.72
ACD/LogD (pH 7.4): 2.13
ACD/BCF (pH 7.4): 10.51
ACD/KOC (pH 7.4): 68.90
Polar Surface Area: 71 Å2
Polarizability: 45.0±0.5 10-24cm3
Surface Tension: 45.6±3.0 dyne/cm
Molar Volume: 360.1±3.0 cm3

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