Desbutyl Lumefantrine - ≥99% , CAS No.355841-11-1

CAS: 355841-11-1 Cat. No.: D647804 Peso molecular: 472.83 PubChem CID: 9934522

GRADE & PURITY ≥99%

Synonyms

2-(Butylamino)-1-[(9Z)-2,7-dichloro-9-(4-chlorobenzylidene)-9H-fluoren-4-yl]ethanol | (Z)-2-(Butylamino)-1-(2,7-dichloro-9-(4-chlorobenzylidene)-9H-fluoren-4-yl)ethanol | HY-12781 | AS-6171 | 07L7O84HGW | A-[(Butylamino)methyl]-2,7-dichloro-9-[(4-chloroph

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Descripción general

Desbutyl Lumefantrine is a metabolite of lumefantrine with antimalarial activity.

Form:Solid

Specifications

Sinónimos

2-(Butylamino)-1-[(9Z)-2, 7-dichloro-9-(4-chlorobenzylidene)-9H-fluoren-4-yl]ethanol | (Z)-2-(Butylamino)-1-(2, 7-dichloro-9-(4-chlorobenzylidene)-9H-fluoren-4-yl)ethanol | HY-12781 | AS-6171 | 07L7O84HGW | A-[(Butylamino)methyl]-2, 7-dichloro-9-[(4-chloroph

Especificaciones y pureza

≥99%

Mecanismos bioquímicos y fisiológicos

Desbutyl Lumefantrine is a metabolite of lumefantrine with antimalarial activity.

Condiciones de almacenamiento de almacenamiento

Store at -20°C

Enviado en

Ice chest + Ice pads

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥99%

Nombres e identificadores

• Sonrisas canónicas: CCCCNCC(C1=CC(=CC2=C1C3=C(C2=CC4=CC=C(C=C4)Cl)C=C(C=C3)Cl)Cl)O
• IUPAC Name: 2-(butylamino)-1-[(9Z)-2,7-dichloro-9-[(4-chlorophenyl)methylidene]fluoren-4-yl]ethanol
• InChIKey: YLBUTQNEBVPTES-NHDPSOOVSA-N
• INCHI: 1S/C26H24Cl3NO/c1-2-3-10-30-15-25(31)24-14-19(29)13-23-21(11-16-4-6-17(27)7-5-16)22-12-18(28)8-9-20(22)26(23)24/h4-9,11-14,25,30-31H,2-3,10,15H2,1H3/b21-11-
• Isómeros SMILES: CCCCNCC(C1=CC(=CC\2=C1C3=C(/C2=C/C4=CC=C(C=C4)Cl)C=C(C=C3)Cl)Cl)O
• PubChem CID: 9934522
• Peso molecular: 472.83

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Fluorenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Fluorenes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Fluorenes
• Alternative Parents: Chlorobenzenes Aralkylamines Aryl chlorides Secondary alcohols 1,2-aminoalcohols Dialkylamines Organopnictogen compounds Organochlorides Hydrocarbon derivatives Aromatic alcohols
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Fluorene - Aralkylamine - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - 1,2-aminoalcohol - Secondary alcohol - Secondary aliphatic amine - Secondary amine - Organohalogen compound - Organooxygen compound - Alcohol - Organic nitrogen compound - Aromatic alcohol - Hydrocarbon derivative - Organopnictogen compound - Organic oxygen compound - Amine - Organochloride - Organonitrogen compound - Aromatic homopolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as fluorenes. These are compounds containing a fluorene moiety, which consists of two benzene rings connected through either a cyclopentane, cyclopentene, or cyclopenta-1,3-diene.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Propiedades químicas y físicas

• Peso molecular: 472.800 g/mol
• XLogP3: 7.000
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 7
• Exact Mass: 471.092 Da
• Monoisotopic Mass: 471.092 Da
• Topological Polar Surface Area: 32.299 Ų
• Heavy Atom Count: 31
• Formal Charge: 0
• Complexity: 605.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1