ChemSpider 2D Image | elomotecan | C29H32ClN3O4

elomotecan

  • Molecular FormulaC29H32ClN3O4
  • Average mass522.035 Da
  • Monoisotopic mass521.208130 Da
  • ChemSpider ID187490

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(5R)-9-Chlor-5-ethyl-5-hydroxy-10-methyl-12-[(4-methyl-1-piperidinyl)methyl]-1,4,5,13-tetrahydro-3H,15H-oxepino[3',4':6,7]indolizino[1,2-b]chinolin-3,15-dion [German] [ACD/IUPAC Name]
(5R)-9-Chloro-5-éthyl-5-hydroxy-10-méthyl-12-[(4-méthyl-1-pipéridinyl)méthyl]-1,4,5,13-tétrahydro-3H,15H-oxépino[3',4':6,7]indolizino[1,2-b]quinoléine-3,15-dione [French] [ACD/IUPAC Name]
(5R)-9-Chloro-5-ethyl-5-hydroxy-10-methyl-12-[(4-methyl-1-piperidinyl)methyl]-1,4,5,13-tetrahydro-3H,15H-oxepino[3',4':6,7]indolizino[1,2-b]quinoline-3,15-dione [ACD/IUPAC Name]
220998-10-7 [RN]
3H,15H-Oxepino[3',4':6,7]indolizino[1,2-b]quinoline-3,15-dione, 9-chloro-5-ethyl-1,4,5,13-tetrahydro-5-hydroxy-10-methyl-12-[(4-methyl-1-piperidinyl)methyl]-, (5R)- [ACD/Index Name]
elomotecan [INN]
elomotecán [Spanish] [INN]
élomotécan [French] [INN]
elomotecanum [Latin] [INN]
эломотекан [Russian] [INN]
More...

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

44KA9Q75GT [DBID]
8589 [DBID]
UNII:44KA9Q75GT [DBID]
UNII-44KA9Q75GT [DBID]

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 821.3±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±3.1 mmHg at 25°C
    Enthalpy of Vaporization: 125.1±3.0 kJ/mol
    Flash Point: 450.5±34.3 °C
    Index of Refraction: 1.684
    Molar Refractivity: 141.8±0.4 cm3
    #H bond acceptors: 7
    #H bond donors: 1
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 1
    ACD/LogP: 3.98
    ACD/LogD (pH 5.5): 2.06
    ACD/BCF (pH 5.5): 7.69
    ACD/KOC (pH 5.5): 44.34
    ACD/LogD (pH 7.4): 3.63
    ACD/BCF (pH 7.4): 285.59
    ACD/KOC (pH 7.4): 1647.40
    Polar Surface Area: 83 Å2
    Polarizability: 56.2±0.5 10-24cm3
    Surface Tension: 69.6±5.0 dyne/cm
    Molar Volume: 373.3±5.0 cm3

    Click to predict properties on the Chemicalize site


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