ChemSpider 2D Image | Lumefantrine | C30H32Cl3NO

Lumefantrine

  • Molecular FormulaC30H32Cl3NO
  • Average mass528.940 Da
  • Monoisotopic mass527.154968 Da
  • ChemSpider ID4941944

  • Double-bond stereo - Double-bond stereo

More details:

Featured data source
The Merck Index Online

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

(±)-2-(Dibutylamino)-1-((9Z)-2,7-dichloro-9-(4-chlorobenzylidene)-9H-fluoren-4-yl)ethanol
(±)-2,7-Dichloro-9-((Z)-p-chlorobenzylidene)-α-((dibutylamino)methyl)fluorene-4-methanol
(9Z)-2,7-Dichloro-9-[(4-chlorophenyl)methylene]-α-[(dibutylamino)methyl]-9H-fluorene-4-methanol
120583-70-2 [RN]
120583-71-3 [RN]
2-(Dibutylamino)-1-[(9Z)-2,7-dichlor-9-(4-chlorbenzyliden)-9H-fluoren-4-yl]ethanol [German] [ACD/IUPAC Name]
2-(Dibutylamino)-1-[(9Z)-2,7-dichloro-9-(4-chlorobenzylidene)-9H-fluoren-4-yl]ethanol [ACD/IUPAC Name]
2-(Dibutylamino)-1-[(9Z)-2,7-dichloro-9-(4-chlorobenzylidène)-9H-fluorén-4-yl]éthanol [French] [ACD/IUPAC Name]
82186-77-4 [RN]
9H-Fluorene-4-methanol, 2,7-dichloro-9-[(4-chlorophenyl)methylene]-α-[(dibutylamino)methyl]-, (9Z)- [ACD/Index Name]
More...

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

01NP22J3SV [DBID]
7610 [DBID]
F38R0JR742 [DBID]
UNII:01NP22J3SV [DBID]
UNII:F38R0JR742 [DBID]
8811003 [DBID]
HSDB 7210 [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Chemical Class:

      A member of the class of fluorenes that is 9-(p-chlorobenzylidene)-9H-fluorene which is substitutec by chlorine at positions 2 and 7, and by a 2-(dibutylamino)-1-hydroxyethyl group at position 4. An a ntimalarial drug used in combination with artemether for the treatment of multi-drug resistant strains of falciparum malaria. ChEBI CHEBI:156095
      Lumefantrine is an antimalarial drug used in combination with artemether for the treatment of multi-drug resistant strains of <ital>falciparum</ital> malaria. ChEBI CHEBI:156095
      Lumefantrine is an antimalarial drug used in combination with artemether for the treatment of multi-drug resistant strains of falciparum malaria. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:156095

    • Bio Activity:

      Anti-infection MedChem Express HY-B0803
      Anti-infection; MedChem Express HY-B0803
      Antiparasitic MedChem Express HY-B0803
      Lumefantrine is an antimalarial drug, used in combination with Artemether. MedChem Express HY-B0803
      Lumefantrine is an antimalarial drug, used in combination with Artemether. The artemether-lumefantrine (AL) as the first- and second-line anti-malarial drugs. MedChem Express HY-B0803

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

Density: 1.3±0.1 g/cm3
Boiling Point: 642.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 99.6±3.0 kJ/mol
Flash Point: 342.3±31.5 °C
Index of Refraction: 1.634
Molar Refractivity: 151.0±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 11.37
ACD/LogD (pH 5.5): 6.55
ACD/BCF (pH 5.5): 11890.75
ACD/KOC (pH 5.5): 4557.28
ACD/LogD (pH 7.4): 8.12
ACD/BCF (pH 7.4): 436263.19
ACD/KOC (pH 7.4): 167203.42
Polar Surface Area: 23 Å2
Polarizability: 59.9±0.5 10-24cm3
Surface Tension: 51.9±3.0 dyne/cm
Molar Volume: 422.3±3.0 cm3

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