ChemSpider 2D Image | N-Desmethyl Olopatadine | C20H21NO3

N-Desmethyl Olopatadine

  • Molecular FormulaC20H21NO3
  • Average mass323.386 Da
  • Monoisotopic mass323.152130 Da
  • ChemSpider ID30778597

  • Double-bond stereo - Double-bond stereo

More details:

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

{(11Z)-11-[3-(Methylamino)propyliden]-6,11-dihydrodibenzo[b,e]oxepin-2-yl}essigsäure [German] [ACD/IUPAC Name]
{(11Z)-11-[3-(Methylamino)propylidene]-6,11-dihydrodibenzo[b,e]oxepin-2-yl}acetic acid [ACD/IUPAC Name]
113835-92-0 [RN]
Acide {(11Z)-11-[3-(méthylamino)propylidène]-6,11-dihydrodibenzo[b,e]oxépin-2-yl}acétique [French] [ACD/IUPAC Name]
Dibenz[b,e]oxepin-2-acetic acid, 6,11-dihydro-11-[3-(methylamino)propylidene]-, (11Z)- [ACD/Index Name]
N-Desmethyl Olopatadine
(Z)-2-(11-(3-(methylamino)propylidene)-6,11-dihydrodibenzo[b,e]oxepin-2-yl)acetic acid
[(2Z)-2-[3-(methylamino)propylidene]-9-oxatricyclo[9.4.0.0³,⁸]pentadeca-1(11),3(8),4,6,12,14-hexaen-5-yl]acetic acid
2-[(11Z)-11-[3-(methylazaniumyl)propylidene]-6H-benzo[c][1]benzoxepin-2-yl]acetate
N-Monodemethylolopatadine

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

B32K679JBG [DBID]
UNII:B32K679JBG [DBID]

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 534.6±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.5 mmHg at 25°C
    Enthalpy of Vaporization: 85.4±3.0 kJ/mol
    Flash Point: 277.1±30.1 °C
    Index of Refraction: 1.646
    Molar Refractivity: 94.9±0.3 cm3
    #H bond acceptors: 4
    #H bond donors: 2
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 3.87
    ACD/LogD (pH 5.5): 1.37
    ACD/BCF (pH 5.5): 1.62
    ACD/KOC (pH 5.5): 9.46
    ACD/LogD (pH 7.4): 1.39
    ACD/BCF (pH 7.4): 1.69
    ACD/KOC (pH 7.4): 9.86
    Polar Surface Area: 59 Å2
    Polarizability: 37.6±0.5 10-24cm3
    Surface Tension: 56.9±3.0 dyne/cm
    Molar Volume: 261.3±3.0 cm3

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