Halofantrine hydrochloride - ≥98% , CAS No.36167-63-2

CAS: 36167-63-2 Cat. No.: H768910 Fórmula: C₂₆H₃₁Cl₃F₃NO Peso molecular: 536.88 Número EC: 252-895-4 PubChem CID: 37392

CALIDAD & PUREZA ≥98%

Storage

Store at 2-8°C

Shipped In

Wet ice

Descripción general

Halofantrine hydrochloride (SKF-102886) is a blocker that delays rectifier potassium currents by inhibiting human ERG channels, and is a potent antimalarial drug.

Especificaciones

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C

Enviado en

Wet ice

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

Tipo de acción

INHIBITOR

Pureza

≥98%

Nombres e identificadores

Sonrisas canónicas

CCCCN(CCCC)CCC(C1=C2C=CC(=CC2=C3C=C(C=C(C3=C1)Cl)Cl)C(F)(F)F)O.Cl

IUPAC Name

3-(dibutylamino)-1-[1,3-dichloro-6-(trifluoromethyl)phenanthren-9-yl]propan-1-ol;hydrochloride

InChIKey

WANGFTDWOFGECH-UHFFFAOYSA-N

INCHI

1S/C26H30Cl2F3NO.ClH/c1-3-5-10-32(11-6-4-2)12-9-25(33)23-16-22-21(14-18(27)15-24(22)28)20-13-17(26(29,30)31)7-8-19(20)23;/h7-8,13-16,25,33H,3-6,9-12H2,1-2H3;1H

Isómeros SMILES

CCCCN(CCCC)CCC(C1=C2C=CC(=CC2=C3C=C(C=C(C3=C1)Cl)Cl)C(F)(F)F)O.Cl

WGK Alemania

3

RTECS

SF7790000

PubChem CID

37392

Peso molecular

536.88

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Phenanthrenes and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Phenanthrenes and derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenanthrenes and derivatives
• Alternative Parents: Chloronaphthalenes Aralkylamines Aryl chlorides 1,3-aminoalcohols Trialkylamines Secondary alcohols Organopnictogen compounds Organofluorides Organochlorides Hydrochlorides Hydrocarbon derivatives Aromatic alcohols Alkyl fluorides
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Phenanthrene - Chloronaphthalene - Naphthalene - Aralkylamine - Aryl chloride - Aryl halide - 1,3-aminoalcohol - Secondary alcohol - Tertiary aliphatic amine - Tertiary amine - Hydrocarbon derivative - Aromatic alcohol - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organochloride - Organohalogen compound - Organic nitrogen compound - Alcohol - Organopnictogen compound - Amine - Alkyl halide - Alkyl fluoride - Hydrochloride - Aromatic homopolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as phenanthrenes and derivatives. These are polycyclic compounds containing a phenanthrene moiety, which is a tricyclic aromatic compound with three non-linearly fused benzene.
• 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: 536.900 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 10
• Exact Mass: 535.142 Da
• Monoisotopic Mass: 535.142 Da
• Topological Polar Surface Area: 23.500 Ų
• Heavy Atom Count: 34
• Formal Charge: 0
• Complexity: 584.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 2

XLogP3

Preguntas frecuentes

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at 2–8 °C. Refrigerated storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 36167-63-2, the molecular formula is C26H31Cl3F3NO, and the molecular weight is 536.88 g/mol. InChIKey WANGFTDWOFGECH-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.