6-[4-(1H-imidazol-1-il)fenoxi]-N,N-dimetil-1-hexanamina, dihidrocloruro , CAS No.502656-68-0

CAS: 502656-68-0 Cat. No.: H344396 Peso molecular: 360.3 PubChem CID: 71433756

Synonyms

SR-01000946730 | 6-[4-(1H-Imidazol-1-yl)phenoxy]-N,N-dimethylhexan-1-amine--hydrogen chloride (1/2) | 6-(4-imidazol-1-ylphenoxy)-N,N-dimethylhexan-1-amine;dihydrochloride | AKOS027276452 | CAY 10462 (dihydrochloride) | DTXSID10849543 | CAY10462 (dihydroch

Storage

Conservar a -20°C

Shipped In

Hielera + almohadillas de hielo

Descripción general

el 6-[4-(1H-imidazol-1-il)fenoxi]-N,N-dimetil-1-hexanamina, dihidrocloruro es un metabolito importante del ácido araquidónico en la vasculatura, especialmente en el riñón, donde es sintetizado por las enzimas del citocromo P450 (CYP450) de la familia 4A.1,2 Los imidazoles alquilarilicos demuestran inhibir ciertas enzimas CYP450, incluida la CYP4A, que está asociada con la síntesis de 20-HETE.

Specifications

Sinónimos

SR-01000946730 | 6-[4-(1H-Imidazol-1-yl)phenoxy]-N, N-dimethylhexan-1-amine--hydrogen chloride (1/2) | 6-(4-imidazol-1-ylphenoxy)-N, N-dimethylhexan-1-amine;dihydrochloride | AKOS027276452 | CAY 10462 (dihydrochloride) | DTXSID10849543 | CAY10462 (dihydroch

Condiciones de almacenamiento de almacenamiento

Conservar a -20°C

Enviado en

Hielera + almohadillas de hielo

Tipo de acción

INHIBITOR

Nombres e identificadores

• Sonrisas canónicas: CN(C)CCCCCCOC1=CC=C(C=C1)N2C=CN=C2.Cl.Cl
• IUPAC Name: 6-(4-imidazol-1-ylphenoxy)-N,N-dimethylhexan-1-amine;dihydrochloride
• InChIKey: SRCWAJONAASSNJ-UHFFFAOYSA-N
• INCHI: 1S/C17H25N3O.2ClH/c1-19(2)12-5-3-4-6-14-21-17-9-7-16(8-10-17)20-13-11-18-15-20;;/h7-11,13,15H,3-6,12,14H2,1-2H3;2*1H
• Isómeros SMILES: CN(C)CCCCCCOC1=CC=C(C=C1)N2C=CN=C2.Cl.Cl
• PubChem CID: 71433756
• Peso molecular: 360.3

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Azoles
      • Subclass Imidazoles
        • Level5 Substituted imidazoles
          • Level6 Phenylimidazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Azoles
• Subclass: Imidazoles
• Intermediate Tree Nodes: Substituted imidazoles
• Direct Parent: Phenylimidazoles
• Alternative Parents: Phenoxy compounds Phenol ethers Alkyl aryl ethers N-substituted imidazoles Heteroaromatic compounds Trialkylamines Azacyclic compounds Hydrochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 1-phenylimidazole - Phenoxy compound - Phenol ether - Alkyl aryl ether - Monocyclic benzene moiety - N-substituted imidazole - Benzenoid - Heteroaromatic compound - Tertiary aliphatic amine - Tertiary amine - Azacycle - Ether - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Amine - Hydrochloride - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as phenylimidazoles. These are polycyclic aromatic compounds containing a benzene ring linked to an imidazole ring through a CC or CN bond.
• 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: 360.300 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 9
• Exact Mass: 359.153 Da
• Monoisotopic Mass: 359.153 Da
• Topological Polar Surface Area: 30.300 Ų
• Heavy Atom Count: 23
• Formal Charge: 0
• Complexity: 265.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 3

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