ChemSpider 2D Image | 8-Chloro-5-(beta-L-glucopyranuronosyl)-11-(4-methyl-1-piperazinyl)-5H-dibenzo[b,e][1,4]diazepine | C24H27ClN4O6

8-Chloro-5-(β-L-glucopyranuronosyl)-11-(4-methyl-1-piperazinyl)-5H-dibenzo[b,e][1,4]diazepine

  • Molecular FormulaC24H27ClN4O6
  • Average mass502.947 Da
  • Monoisotopic mass502.161926 Da
  • ChemSpider ID30778608

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

5H-Dibenzo[b,e][1,4]diazepine, 8-chloro-5-β-L-glucopyranuronosyl-11-(4-methyl-1-piperazinyl)- [ACD/Index Name]
8-Chlor-5-(β-L-glucopyranuronosyl)-11-(4-methyl-1-piperazinyl)-5H-dibenzo[b,e][1,4]diazepin [German] [ACD/IUPAC Name]
8-Chloro-5-(β-L-glucopyranuronosyl)-11-(4-methyl-1-piperazinyl)-5H-dibenzo[b,e][1,4]diazepine [ACD/IUPAC Name]
8-Chloro-5-(β-L-glucopyranuronosyl)-11-(4-méthyl-1-pipérazinyl)-5H-dibenzo[b,e][1,4]diazépine [French] [ACD/IUPAC Name]
(2R,3R,4R,5S,6S)-6-[6-chloro-10-(4-methylpiperazin-1-yl)-2,9-diazatricyclo[9.4.0.0³,⁸]pentadeca-1(15),3(8),4,6,9,11,13-heptaen-2-yl]-3,4,5-trihydroxyoxane-2-carboxylic acid
Clozapine glucuronide

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

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

Density: 1.6±0.1 g/cm3
Boiling Point: 760.0±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 116.1±3.0 kJ/mol
Flash Point: 413.4±35.7 °C
Index of Refraction: 1.730
Molar Refractivity: 125.4±0.5 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 2
ACD/LogP: 1.23
ACD/LogD (pH 5.5): -2.16
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.01
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 129 Å2
Polarizability: 49.7±0.5 10-24cm3
Surface Tension: 66.6±7.0 dyne/cm
Molar Volume: 314.3±7.0 cm3

Click to predict properties on the Chemicalize site


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