6-[4-(1H-imidazol-1-yl)phenoxy]-N,N-dimethyl-1-hexanamine, dihydrochloride , CAS No.502656-68-0

CAS: 502656-68-0 Cat. No.: H344396 Molecular Weight: 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

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

6-[4-(1H-imidazol-1-yl)phenoxy]-N,N-dimethyl-1-hexanamine, dihydrochloride is an important metabolite of arachidonic acid in the vasculature, especially in the kidney, where it is synthesized by cytochrome P450 (CYP450) enzymes of the 4A family.1,2 Alkylaryl imidazoles show to inhibit certain CYP450 enzymes, including CYP4A, which is associated with 20-HETE synthesis.

Specifications

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

Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Action Type

INHIBITOR

Names and Identifiers

• Canonical Smiles: 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
• Isomeric SMILES: CN(C)CCCCCCOC1=CC=C(C=C1)N2C=CN=C2.Cl.Cl
• PubChem CID: 71433756
• Molecular Weight: 360.3

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: 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
• Description: 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

Chemical and Physical Properties

• Molecular Weight: 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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