ChemSpider 2D Image | 1-Hydroxymidazolam-b-D-glucuronide | C24H21ClFN3O7

1-Hydroxymidazolam-b-D-glucuronide

  • Molecular FormulaC24H21ClFN3O7
  • Average mass517.891 Da
  • Monoisotopic mass517.105225 Da
  • ChemSpider ID117883

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

[8-Chlor-6-(2-fluorphenyl)-4H-imidazo[1,5-a][1,4]benzodiazepin-1-yl]methyl-β-D-glucopyranosiduronsäure [German] [ACD/IUPAC Name]
[8-Chloro-6-(2-fluorophenyl)-4H-imidazo[1,5-a][1,4]benzodiazepin-1-yl]methyl β-D-glucopyranosiduronic acid [ACD/IUPAC Name]
1-Hydroxymidazolam-b-D-glucuronide
81256-81-7 [RN]
Acide β-D-glucopyranosiduronique de [8-chloro-6-(2-fluorophényl)-4H-imidazo[1,5-a][1,4]benzodiazépin-1-yl]méthyle [French] [ACD/IUPAC Name]
β-D-Glucopyranosiduronic acid, [8-chloro-6-(2-fluorophenyl)-4H-imidazo[1,5-a][1,4]benzodiazepin-1-yl]methyl [ACD/Index Name]
(2S,3S,4S,5R,6R)-6-[[8-chloro-6-(2-fluorophenyl)-4H-imidazo[1,5-a][1,4]benzodiazepin-1-yl]methoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
[8-?CHLORO-?6-?(2-?FLUOROPHENYL)-?4H-?IMIDAZO[1,?5-?A][1,?4]BENZODIAZEPIN-?1-?YL]METHYL-?β-?D-?GLUCOPYRANOSIDURONIC ACID
[81256-81-7] [RN]
[8-chloro-6-(2-fluorophenyl)-4H-imidazo[1,5-a][1,4]benzodiazepin-1-yl]methyl-?-D-glucopyranosiduronic acid
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  • Miscellaneous

    • Chemical Class:

      A beta-D-glucosiduronic acid that is beta-D-glucuronic acid in which the anomeric hydroxyl hydrogen has been replaced by a 8-chloro-6-(2-fluorophenyl)-1-methyl-4H-imidazo[1,5-a][1,4]benzodiazepin-4-yl group. It is the glucuronidated conjugate of the midazolam metabolite, 1-hydroxymidazolam. ChEBI CHEBI:145334

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

Density: 1.7±0.1 g/cm3
Boiling Point: 788.0±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 120.2±3.0 kJ/mol
Flash Point: 430.3±35.7 °C
Index of Refraction: 1.724
Molar Refractivity: 122.0±0.5 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 1.12
ACD/LogD (pH 5.5): -1.65
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.54
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 147 Å2
Polarizability: 48.4±0.5 10-24cm3
Surface Tension: 65.8±7.0 dyne/cm
Molar Volume: 307.7±7.0 cm3

Click to predict properties on the Chemicalize site


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