-
Name
Lumefantrine
- EINECS 617-303-4
- CAS No. 82186-77-4
- Article Data4
- CAS DataBase
- Density 1.252 g/cm3
- Solubility
- Melting Point 129-131oC
- Formula C30H32Cl3NO
- Boiling Point 642.5 °C at 760 mmHg
- Molecular Weight 528.949
- Flash Point 342.3 °C
- Transport Information
- Appearance Yellow solid
- Safety
- Risk Codes
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Molecular Structure
- Hazard Symbols
- Synonyms 9H-Fluorene-4-methanol,2,7-dichloro-9-[(4-chlorophenyl)methylene]-a-[(dibutylamino)methyl]-, (Z)-;2-Dibutylamino-1-[2,7-dichloro-9-[1-(4-chlorophenyl)meth-(Z)-ylidene]-9H-fluoren-4-yl]ethanol;Benflumelol;Lumefantrine;dl-Benflumelol;
- PSA 23.47000
- LogP 9.15170
Benflumetol Chemical Properties
Product Name: Lumefantrine (CAS NO.82186-77-4)
Molecular Formula: C30H32Cl3NO
Molecular Weight: 528.94018g/mol
Mol File: 82186-77-4.mol
Boiling point: 642.5 °C at 760 mmHg
Flash Point: 342.3 °C
Density: 1.252 g/cm3
Surface Tension: 51.9 dyne/cm
Enthalpy of Vaporization: 99.65 kJ/mol
Vapour Pressure: 2.2E-17 mmHg at 25°C
XLogP3-AA: 8.7
H-Bond Donor: 1
H-Bond Acceptor: 2
Structure Descriptors of Lumefantrine (CAS NO.82186-77-4):
IUPAC Name: 2-(dibutylamino)-1-[(9Z)-2,7-dichloro-9-[(4-chlorophenyl)methylidene]fluoren-4-yl]ethanol
Canonical SMILES: CCCCN(CCCC)CC(C1=C2C3=C(C=C(C=C3)Cl)C(=CC4=CC=C(C=C4)Cl)C2=CC(=C1)Cl)O
Isomeric SMILES: CCCCN(CCCC)CC(C1=C2C3=C(C=C(C=C3)Cl)/C(=C/C4=CC=C(C=C4)Cl)/C2=CC(=C1)Cl)O
InChI: InChI=1S/C30H32Cl3NO/c1-3-5-13-34(14-6-4-2)19-29(35)28-18-23(33)17-27-25(15-20-7-9-21(31)10-8-20)26-16-22(32)11-12-24(26)30(27)28/h7-12,15-18,29,35H,3-6,13-14,19H2,1-2H3/b25-15-
InChIKey: DYLGFOYVTXJFJP-MYYYXRDXSA-N
Product Categories: Amines; Aromatics; Intermediates & Fine Chemicals; Pharmaceuticals
Benflumetol Specification
Lumefantrine ,its CAS NO. is 82186-77-4,the synonyms is Benflumetol ; Coartem ; (+-)-2,7-Dichloro-9-((Z)-p-chlorobenzylidene)-alpha((dibutylamino)methyl)fluorene-4-methanol ; (+-)-2,7-Dichloro-9-((Z)-p-chlorobenzylidene)-alpha-((dibutylamino)methyl)fluorene-4-methanol ; HSDB 7210 ; UNII-F38R0JR742 ; dl-Benflumelol ; 9H-Fluorene-4-methanol, 2,7-dichloro-9-((4-chlorophenyl)methylene)-alpha-((dibutylamino)methyl)-, (Z)- .
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