Cirazoline hydrochloride - ≥98% , CAS No.40600-13-3

CAS: 40600-13-3 Cat. No.: C287643 Summenformel: C₁₃H₁₆N₂O•HCl Molekulargewicht: 252.74

QUALITÄT & REINHEIT ≥98%

Synonyms

SCHEMBL93916 | 2-[(2-cyclopropylphenoxy)methyl]-4,5-dihydro-1H-imidazole;hydrochloride | CCG-221658 | 2-((2-Cyclopropylphenoxy)methyl)-4,5-dihydro-1H-imidazolium chloride | EU-0100354 | 2-((2-cyclopropylphenoxy)methyl)-4,5-dihydro-1H-imidazole hydrochlori

Storage

Room temperature,Argon charged

Shipped In

Normal

Übersicht

Cirazoline hydrochloride (LD 3098 hydrochloride) is a potent competitive full α1A-adrenergic receptor (α1A-AR) agonist and only a partial agonist at α1B-AR.

Spezifikationen

Synonyme

SCHEMBL93916 | 2-[(2-cyclopropylphenoxy)methyl]-4,5-dihydro-1H-imidazole;hydrochloride | CCG-221658 | 2-((2-Cyclopropylphenoxy)methyl)-4,5-dihydro-1H-imidazolium chloride | EU-0100354 | 2-((2-cyclopropylphenoxy)methyl)-4,5-dihydro-1H-imidazole hydrochlori

Spezifikationen & Reinheit

≥98%

Biochemische und physiologische Mechanismen

Selectiveα1agonist.

Storage

Room temperature,Argon charged

Verschickt in

Normal

Aktionsart

AGONIST

Reinheit

≥98%

Namen und Kennungen

Pubchem Sid

528755807

Kanonisches Lächeln

C1CC1C2=CC=CC=C2OCC3=NCCN3.Cl

IUPAC Name

2-[(2-cyclopropylphenoxy)methyl]-4,5-dihydro-1H-imidazole;hydrochloride

InChIKey

XFRXWLWUUDJHPB-UHFFFAOYSA-N

INCHI

1S/C13H16N2O.ClH/c1-2-4-12(11(3-1)10-5-6-10)16-9-13-14-7-8-15-13;/h1-4,10H,5-9H2,(H,14,15);1H

Isomere SMILES

C1CC1C2=CC=CC=C2OCC3=NCCN3.Cl

WGK Deutschland

3

Molekulargewicht

252.74

Reaxy-Rn

8166926

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8166926&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Phenol ethers

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Phenol ethers
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenol ethers
• Alternative Parents: Phenoxy compounds Alkyl aryl ethers Imidolactams Imidazolines Propargyl-type 1,3-dipolar organic compounds Carboximidamides Carboxamidines Azacyclic compounds Hydrochlorides Hydrocarbon derivatives Amines
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Phenoxy compound - Phenol ether - Alkyl aryl ether - Monocyclic benzene moiety - Imidolactam - 2-imidazoline - Amidine - Carboxylic acid amidine - Ether - Azacycle - Carboximidamide - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organoheterocyclic compound - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Organic nitrogen compound - Amine - Hydrochloride - Hydrocarbon derivative - Aromatic heteromonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as phenol ethers. These are aromatic compounds containing an ether group substituted with a benzene ring.
• 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

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KCNH2 Tclin HERG (29587 Activities)

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EHMT2 Tchem Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 (93046 Activities)

Discover Target: EHMT2

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LMNA Tbio Prelamin-A/C (36751 Activities)

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GMNN Tbio Geminin (128009 Activities)

Discover Target: GMNN

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RAN Tchem GTP-binding nuclear protein Ran/Importin subunit beta-1/Snurportin-1 (21853 Activities)

Discover Target: RAN

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ampC Beta-lactamase AmpC (62480 Activities)

Discover Target: ampC

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Plasmodium falciparum (966862 Activities)

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rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

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Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Löslichkeit: Solvent:water, Max Conc. mg/mL: 25.27, Max Conc. mM: 100; Solvent:DMSO, Max Conc. mg/mL: 25.27, Max Conc. mM: 100
• Empfindlichkeit: Moisture sensitive.
• Molekulargewicht: 252.740 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 252.103 Da
• Monoisotopic Mass: 252.103 Da
• Topological Polar Surface Area: 33.600 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 273.000
• 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: 2

XLogP3