ChemSpider 2D Image | Suvorexant | C23H23ClN6O2

Suvorexant

  • Molecular FormulaC23H23ClN6O2
  • Average mass450.921 Da
  • Monoisotopic mass450.157104 Da
  • ChemSpider ID24662178
  • defined stereocentres - 1 of 1 defined stereocentres


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

[(7R)-4-(5-Chlor-1,3-benzoxazol-2-yl)-7-methyl-1,4-diazepan-1-yl][5-methyl-2-(2H-1,2,3-triazol-2-yl)phenyl]methanon [German] [ACD/IUPAC Name]
[(7R)-4-(5-Chloro-1,3-benzoxazol-2-yl)-7-methyl-1,4-diazepan-1-yl][5-methyl-2-(2H-1,2,3-triazol-2-yl)phenyl]methanone [ACD/IUPAC Name]
[(7R)-4-(5-Chloro-1,3-benzoxazol-2-yl)-7-méthyl-1,4-diazépan-1-yl][5-méthyl-2-(2H-1,2,3-triazol-2-yl)phényl]méthanone [French] [ACD/IUPAC Name]
[(7R)-4-(5-chlorobenzoxazol-2-yl)-7-methylhexahydro-1H-1,4-diazepin-1-yl][5-methyl-2-(2H-1,2,3-triazol-2-yl)phenyl]methanone
1030377-33-3 [RN]
Belsomra [Trade name]
Methanone, [(7R)-4-(5-chloro-2-benzoxazolyl)hexahydro-7-methyl-1H-1,4-diazepin-1-yl][5-methyl-2-(2H-1,2,3-triazol-2-yl)phenyl]- [ACD/Index Name]
Suvorexant [Spanish] [INN]
Suvorexant [French] [INN]
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

081L192FO9 [DBID]
9435 [DBID]
MK-4305 [DBID]
MK 4305 [DBID]
MK4305 [DBID]
UNII:081L192FO9 [DBID]
UNII-081L192FO9 [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous
    • Chemical Class:

      An aromatic amide obtained by formal condensation of the carboxy group of 5-methyl-2-(2<element>H</element>-1,2,3-triazol-2-yl)benzoic acid with the secondary amino group of 5-chloro-2-[(5<stereo>R</s tereo>)-5-methyl-1,4-diazepan-1-yl]-1,3-benzoxazole. An orexin receptor antagonist used for the management of insomnia. ChEBI CHEBI:82698
      An aromatic amide obtained by formal condensation of the carboxy group of 5-methyl-2-(2H-1,2,3-triazol-2-yl)benzoic acid with the secondary amino group of 5-chloro-2-[(5R)-5-methyl-1,4-diazepan-1-yl]- 1,3-benzoxazole. An orexin receptor antagonist used for the management of insomnia. ChEBI CHEBI:82698
    • Bio Activity:

      GPCR/G protein MedChem Express HY-10807
      GPCR/G protein; MedChem Express HY-10807
      Orexin Receptor (OX Receptor) MedChem Express HY-10807
      Suvorexant (MK-4305) is a potent dual OX receptor antagonist with Ki of 0.55 nM and 0.35 nM for OX1 receptor and OX2 receptor, respectively. MedChem Express
      Suvorexant (MK-4305) is a potent dual OX receptor antagonist with Ki of 0.55 nM and 0.35 nM for OX1 receptor and OX2 receptor, respectively.; IC50 value: 0.55/0.35 nM(Ki, OX1/2) [1]; Target:OX1R; OX2R; in vivtro: ; in vivo: Suvorexant has excellent passive permeability and oral bioavailability, and induces favorable sleep effects in rats [1]. MedChem Express HY-10807
      Suvorexant (MK-4305) is a potent dual OX receptor antagonist with Ki of 0.55 nM and 0.35 nM for OX1 receptor and OX2 receptor, respectively.;IC50 value: 0.55/0.35 nM(Ki, OX1/2) [1];Target:OX1R; OX2R;In vivtro: ;In vivo: Suvorexant has excellent passive permeability and oral bioavailability, and induces favorable sleep effects in rats [1]. In addition, suvorexant significantly and dose-dependently reduces locomotor activity and promotes sleep in rats (10, 30, and 100 mg/kg), dogs (1 and 3 mg/kg), and rhesus monkeys (10 mg/kg) [2]. MedChem Express HY-10807

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

Density: 1.4±0.1 g/cm3
Boiling Point: 669.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 98.4±3.0 kJ/mol
Flash Point: 358.9±34.3 °C
Index of Refraction: 1.703
Molar Refractivity: 123.3±0.5 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.62
ACD/LogD (pH 5.5): 3.35
ACD/BCF (pH 5.5): 205.16
ACD/KOC (pH 5.5): 1572.48
ACD/LogD (pH 7.4): 3.35
ACD/BCF (pH 7.4): 205.19
ACD/KOC (pH 7.4): 1572.71
Polar Surface Area: 80 Å2
Polarizability: 48.9±0.5 10-24cm3
Surface Tension: 55.8±7.0 dyne/cm
Molar Volume: 317.8±7.0 cm3

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