ChemSpider 2D Image | Etoposide | C29H32O13

Etoposide

  • Molecular FormulaC29H32O13
  • Average mass588.557 Da
  • Monoisotopic mass588.184265 Da
  • ChemSpider ID33510
  • defined stereocentres - 10 of 10 defined stereocentres


More details:



Featured data source



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

(5R,5aR,8aR,9S)-9-{[(2R,4aR,6R,7R,8R,8aS)-7,8-dihydroxy-2-methylhexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy}-5-(4-hydroxy-3,5-dimethoxyphenyl)-5,8,8a,9-tetrahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol-6(5aH)-one
(5R,5aR,8aR,9S)-9-{[(2R,4aR,6R,7R,8R,8aS)-7,8-dihydroxy-2-méthylhexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy}-5-(4-hydroxy-3,5-diméthoxyphényl)-5,8,8a,9-tétrahydrofuro[3',4':6,7]naphto[2,3-d][1,3]dioxol-6(5aH)-one
(5S,5aR,8aR,9R)-9-(4-Hydroxy-3,5-dimethoxyphenyl)-8-oxo-5,5a,6,8,8a,9-hexahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol-5-yl 4,6-O-[(1R)-ethylidene]-β-D-glucopyranoside [ACD/IUPAC Name]
(5S,5aR,8aR,9R)-9-(4-Hydroxy-3,5-dimethoxyphenyl)-8-oxo-5,5a,6,8,8a,9-hexahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol-5-yl-4,6-O-[(1R)-ethyliden]-β-D-glucopyranosid [German] [ACD/IUPAC Name]
251-509-1 [EINECS]
33419-42-0 [RN]
3835
4,6-O-[(1R)-Éthylidène]-β-D-glucopyranoside de (5S,5aR,8aR,9R)-9-(4-hydroxy-3,5-diméthoxyphényl)-8-oxo-5,5a,6,8,8a,9-hexahydrofuro[3',4':6,7]naphto[2,3-d][1,3]dioxol-5-yle [French] [ACD/IUPAC Name]
4′-Demethylepipodophyllotoxin 9-(4,6-O-ethylidene-β-D-glucopyranoside)
4'-Demethylepipodophyllotoxin 9-(4,6-O-ethylidene-β-D-glucopyranoside)
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

AIDS001998 [DBID]
AIDS-001998 [DBID]
C01576 [DBID]
CCRIS 2392 [DBID]
CHEBI:4911 [DBID]
D00125 [DBID]
DRG-0081 [DBID]
E1383_SIGMA [DBID]
HSDB 6517 [DBID]
MLS000049957 [DBID]
More...
  • Experimental Physico-chemical Properties
  • Miscellaneous
    • Safety:

      L01CB01 Wikidata Q418817
    • Target Organs:

      Topoisomerase inhibitor; MRP inhibitor TargetMol T0132
    • Bio Activity:

      Cell Cycle/DNA Damage MedChem Express HY-13629
      Cell Cycle/DNA Damage; MedChem Express HY-13629
      DNA Damage/DNA Repair;Immunology/Inflammation TargetMol T0132
      DNA Topoisomerase Tocris Bioscience 1226
      Enzymes Tocris Bioscience 1226
      Etoposide inhibits DNA synthesis by forming a complex with topoisomerase II and DNA.; Target: Topoisomerase; Approved: 1983; Etoposide inhibits the growth of murine angiosarcoma cell line (ISOS-1) in a 5 days-period with IC50 of 0.25 ?g/mL. MedChem Express HY-13629
      Isomerases Tocris Bioscience 1226
      Topoisomerase MedChem Express HY-13629
      Topoisomerase II inhibitor Tocris Bioscience 1226
      Topoisomerase II inhibitor (IC50 = 59.2 ?M). Tocris Bioscience 1226
      Topoisomerase II inhibitor (IC50 = 59.2 muM). Tocris Bioscience 1226
      Topoisomerase II; MRP TargetMol T0132

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.6±0.1 g/cm3
Boiling Point: 798.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 121.7±3.0 kJ/mol
Flash Point: 263.6±26.4 °C
Index of Refraction: 1.662
Molar Refractivity: 140.1±0.4 cm3
#H bond acceptors: 13
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 0.30
ACD/LogD (pH 5.5): 0.66
ACD/BCF (pH 5.5): 1.87
ACD/KOC (pH 5.5): 54.36
ACD/LogD (pH 7.4): 0.66
ACD/BCF (pH 7.4): 1.86
ACD/KOC (pH 7.4): 54.21
Polar Surface Area: 161 Å2
Polarizability: 55.5±0.5 10-24cm3
Surface Tension: 76.5±5.0 dyne/cm
Molar Volume: 378.5±5.0 cm3

Click to predict properties on the Chemicalize site





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