ChemSpider 2D Image | Temazepam glucuronide | C22H21ClN2O8

Temazepam glucuronide

  • Molecular FormulaC22H21ClN2O8
  • Average mass476.864 Da
  • Monoisotopic mass476.098633 Da
  • ChemSpider ID35518750

  • defined stereocentres - 5 of 6 defined stereocentres

More details:

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

2H-1,4-Benzodiazepin-2-one, 7-chloro-3-(β-D-glucopyranuronosyloxy)-1,3-dihydro-1-methyl-5-phenyl- [ACD/Index Name]
3703-53-5 [RN]
7-Chlor-1-methyl-2-oxo-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-3-yl-β-D-glucopyranosiduronsäure [German] [ACD/IUPAC Name]
7-Chloro-1-methyl-2-oxo-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-3-yl β-D-glucopyranosiduronic acid [ACD/IUPAC Name]
Acide β-D-glucopyranosiduronique de 7-chloro-1-méthyl-2-oxo-5-phényl-2,3-dihydro-1H-1,4-benzodiazépin-3-yle [French] [ACD/IUPAC Name]
Temazepam glucuronide
3-Hydroxydiazepamglucuronide
7-Chloro-1-methyl-2-oxo-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-3-ylD-glucopyranosiduronicacid
MFCD02682125
Temazepam b-D-glucuronide

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

UNII:Y1E98AMN1E [DBID]
Y1E98AMN1E [DBID]

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

    Density: 1.6±0.1 g/cm3
    Boiling Point: 793.2±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.9 mmHg at 25°C
    Enthalpy of Vaporization: 121.0±3.0 kJ/mol
    Flash Point: 433.5±32.9 °C
    Index of Refraction: 1.699
    Molar Refractivity: 113.1±0.5 cm3
    #H bond acceptors: 10
    #H bond donors: 4
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 1
    ACD/LogP: 0.20
    ACD/LogD (pH 5.5): -2.57
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -3.42
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 149 Å2
    Polarizability: 44.8±0.5 10-24cm3
    Surface Tension: 65.1±7.0 dyne/cm
    Molar Volume: 292.9±7.0 cm3

    Click to predict properties on the Chemicalize site


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