HCl d'adiphénine - ≥98% , CAS No.50-42-0

CAS: 50-42-0 Cat. No.: A129364 Formule: C₂₀H₂₅NO₂·HCl Poids moléculaire: 347.88 Numéro CE: 200-036-9

GRADE & PURITY ≥98%

Synonyms

NSC758234 | NSC-758234 | MLS002222150 | Prestwick_7 | 2-(Diethylamino)ethyl diphenylacetate hydrochloride | A828115 | ADIPHENINE HCL | Adiphenine hydrochloride (USAN) | 2-(diethylamino)ethyl 2,2-diphenylacetate;hydron;chloride | SCHEMBL33478 | Ethanol, 2-

Storage

Conserver à -20°C

Shipped In

Glacière + blocs de glace

Vue d’ensemble

Le chlorhydrate d'adiphénine est un inhibiteur des récepteurs nicotiniques dont la CI50 est de 15 μM.

Specifications

Synonymes

NSC758234 | NSC-758234 | MLS002222150 | Prestwick_7 | 2-(Diethylamino)ethyl diphenylacetate hydrochloride | A828115 | ADIPHENINE HCL | Adiphenine hydrochloride (USAN) | 2-(diethylamino)ethyl 2,2-diphenylacetate;hydron;chloride | SCHEMBL33478 | Ethanol, 2-

Spécifications et pureté

≥98%

Mécanismes biochimiques et physiologiques

Le chlorhydrate d'adiphénine est un inhibiteur non compétitif des récepteurs nicotiniques de l'acétylcholine (nAChR). Utilisé comme antispasmodique.

Conditions de stockage de stockage

Conserver à -20°C

Expédié en

Glacière + blocs de glace

Note

Dans la mesure du possible, les solutions doivent être préparées et utilisées le même jour. Toutefois, si vous devez préparer des solutions de base à l'avance, nous vous recommandons de les conserver sous forme d'aliquotes dans des flacons hermétiques à -20°C. Ces aliquotes sont généralement utilisables pendant un mois. En général, ces solutions peuvent être utilisées pendant un mois. Avant utilisation, et avant d'ouvrir le flacon, nous vous recommandons de laisser votre produit s'équilibrer à température ambiante pendant au moins 1 heure. Besoin de plus de conseils sur la solubilité, l'utilisation et la manipulation ? Veuillez consulter notre page de questions fréquemment posées (FAQ) pour plus de détails.

Pureté

≥98%

Noms et identifiants

• Pubchem Sid: 504750935
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504750935
• Sourires canoniques: CCN(CC)CCOC(=O)C(C1=CC=CC=C1)C2=CC=CC=C2.Cl
• IUPAC Name: 2-(diethylamino)ethyl 2,2-diphenylacetate;hydrochloride
• InChIKey: LKPINBXAWIMZCG-UHFFFAOYSA-N
• INCHI: 1S/C20H25NO2.ClH/c1-3-21(4-2)15-16-23-20(22)19(17-11-7-5-8-12-17)18-13-9-6-10-14-18;/h5-14,19H,3-4,15-16H2,1-2H3;1H
• Isomères SMILES: CCN(CC)CCOC(=O)C(C1=CC=CC=C1)C2=CC=CC=C2.Cl
• WGK Allemagne: 3
• RTECS: AH2625000
• CAS alternatif: 64-95-9
• Poids moléculaire: 347.88
• Reaxy-Rn: 3919592
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3919592&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Diphenylmethanes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Diphenylmethanes
• Intermediate Tree Nodes: Not available
• Direct Parent: Diphenylmethanes
• Alternative Parents: Trialkylamines Carboxylic acid esters Amino acids and derivatives Monocarboxylic acids and derivatives Organopnictogen compounds Organic oxides Hydrochlorides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Diphenylmethane - Amino acid or derivatives - Carboxylic acid ester - Tertiary amine - Tertiary aliphatic amine - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Amine - Hydrochloride - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as diphenylmethanes. These are compounds containing a diphenylmethane moiety, which consists of a methane wherein two hydrogen atoms are replaced by two phenyl groups.
• 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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Mécanismes d'action

Propriétés chimiques et physiques

• Solubilité: DMSO 30 mg/mL Water 70 mg/mL Ethanol 18 mg/mL
• Sensibilité: Moisture sensitive
• Point de fusion (°C): 117 °C
• Poids moléculaire: 347.900 g/mol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 9
• Exact Mass: 347.165 Da
• Monoisotopic Mass: 347.165 Da
• Topological Polar Surface Area: 29.500 Ų
• Heavy Atom Count: 24
• Formal Charge: 0
• Complexity: 311.000
• 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

Références

1. Jingyi Zhang, Zidan Cao, Di Fan, Yu Li, Tao Li, Baozeng Ren.  (2023)  Solid-liquid phase equilibrium of adiphenine hydrochloride in twelve pure solvents.  JOURNAL OF CHEMICAL THERMODYNAMICS,      [PMID:] [10.1016/j.jct.2023.107067]