ZD 7114 hydrochloride - ≥98% , CAS No.129689-28-7

CAS: 129689-28-7 Cat. No.: Z288433 Peso molecular: 454.95 Número EC: 682-926-0 PubChem CID: 9890216

GRADE & PURITY ≥98%

Synonyms

Acetamide, 2-(4-(2-((2-hydroxy-3-phenoxypropyl)amino)ethoxy)phenoxy)-N-(2-methoxyethyl)-, monohydrochloride, (S)- | (S)-2-(4-(2-((2-Hydroxy-3-phenoxypropyl)amino)ethoxy)phenoxy)-N-(2-methoxyethyl)acetamide hydrochloride | ICI-D 7114 | ZD-7114; ZD7114; ZD

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Sinónimos

Acetamide, 2-(4-(2-((2-hydroxy-3-phenoxypropyl)amino)ethoxy)phenoxy)-N-(2-methoxyethyl)-, monohydrochloride, (S)- | (S)-2-(4-(2-((2-Hydroxy-3-phenoxypropyl)amino)ethoxy)phenoxy)-N-(2-methoxyethyl)acetamide hydrochloride | ICI-D 7114 | ZD-7114; ZD7114; ZD

Especificaciones y pureza

≥98%

Mecanismos bioquímicos y fisiológicos

β3-adrenoceptor agonist.Active Metabolitealso available.

Condiciones de almacenamiento de almacenamiento

Store at -20°C

Enviado en

Ice chest + Ice pads

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

Pureza

≥98%

Nombres e identificadores

• Sonrisas canónicas: COCCNC(=O)COC1=CC=C(C=C1)OCCNCC(COC2=CC=CC=C2)O.Cl
• IUPAC Name: 2-[4-[2-[[(2S)-2-hydroxy-3-phenoxypropyl]amino]ethoxy]phenoxy]-N-(2-methoxyethyl)acetamide;hydrochloride
• InChIKey: KCAMZVQSGDBGGF-FERBBOLQSA-N
• INCHI: 1S/C22H30N2O6.ClH/c1-27-13-12-24-22(26)17-30-21-9-7-20(8-10-21)28-14-11-23-15-18(25)16-29-19-5-3-2-4-6-19;/h2-10,18,23,25H,11-17H2,1H3,(H,24,26);1H/t18-;/m0./s1
• Isómeros SMILES: COCCNC(=O)COC1=CC=C(C=C1)OCCNC[C@@H](COC2=CC=CC=C2)O.Cl
• WGK Alemania: 3
• PubChem CID: 9890216
• Peso molecular: 454.95

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Phenol ethers

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Phenol ethers
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenol ethers
• Alternative Parents: Phenoxy compounds Alkyl aryl ethers Secondary carboxylic acid amides Secondary alcohols Amino acids and derivatives 1,2-aminoalcohols Dialkylamines Dialkyl ethers Organic oxides Hydrochlorides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenoxy compound - Phenol ether - Alkyl aryl ether - Monocyclic benzene moiety - 1,2-aminoalcohol - Amino acid or derivatives - Carboxamide group - Secondary alcohol - Secondary carboxylic acid amide - Ether - Secondary aliphatic amine - Dialkyl ether - Carboxylic acid derivative - Secondary amine - Organic oxide - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Carbonyl group - Organic oxygen compound - Amine - Alcohol - Hydrochloride - Hydrocarbon derivative - Aromatic homomonocyclic compound
• Descripción: 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

Propiedades químicas y físicas

• Solubilidad: Solvent:DMSO, Max Conc. mg/mL: 45.49, Max Conc. mM: 100
• Peso molecular: 454.900 g/mol
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 15
• Exact Mass: 454.187 Da
• Monoisotopic Mass: 454.187 Da
• Topological Polar Surface Area: 98.300 Ų
• Heavy Atom Count: 31
• Formal Charge: 0
• Complexity: 439.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• 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

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