Mapenterol hydrochloride Standard solution - 1000μg/ml in methanol , CAS No.54238-51-6

CAS: 54238-51-6 Cat. No.: M397403 分子式: C₁₄H₂₀ClF₃N₂O · HCl 分子量: 361.23 EC番号: 634-688-4

GRADE & PURITY 1000μg/ml in methanol

Synonyms

FT-0670951 | 1-(4'-Amino-3'-chloro-5'-trifluoromethyl-phenyl)-2-tert.pentylamino-ethanol hydrochloride | 1-[4-Amino-3-chloro-5-(trifluoromethyl)phenyl]-2-[(2-methylbutan-2-yl)amino]ethan-1-ol--hydrogen chloride (1/1) | 1-(4-AMINO-3-CHLORO-5-TRIFLUOROMETHY

Storage

Room temperature

Shipped In

Normal

概要

Mapenterol hydrochloride is a related drug of Clenbuterol, a β-agonist.

Specifications

同義語

FT-0670951 | 1-(4'-Amino-3'-chloro-5'-trifluoromethyl-phenyl)-2-tert.pentylamino-ethanol hydrochloride | 1-[4-Amino-3-chloro-5-(trifluoromethyl)phenyl]-2-[(2-methylbutan-2-yl)amino]ethan-1-ol--hydrogen chloride (1/1) | 1-(4-AMINO-3-CHLORO-5-TRIFLUOROMETHY

仕様と純度

1000μg/ml in methanol

保管条件

Room temperature

入荷

Normal

名前と識別子

• パブケム・シド: 528776558
• カノニカル・スマイル: CCC(C)(C)NCC(C1=CC(=C(C(=C1)Cl)N)C(F)(F)F)O.Cl
• IUPAC Name: 1-[4-amino-3-chloro-5-(trifluoromethyl)phenyl]-2-(2-methylbutan-2-ylamino)ethanol;hydrochloride
• InChIKey: LWJSGOMCMMDPEN-UHFFFAOYSA-N
• INCHI: 1S/C14H20ClF3N2O.ClH/c1-4-13(2,3)20-7-11(21)8-5-9(14(16,17)18)12(19)10(15)6-8;/h5-6,11,20-21H,4,7,19H2,1-3H3;1H
• 異性体SMILES: CCC(C)(C)NCC(C1=CC(=C(C(=C1)Cl)N)C(F)(F)F)O.Cl
• 分子量: 361.23
• Reaxy-Rn: 6254601
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=6254601&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 分類 Benzene and substituted derivatives
      • Subclass Trifluoromethylbenzenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: Benzene and substituted derivatives
• Subclass: Trifluoromethylbenzenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Trifluoromethylbenzenes
• Alternative Parents: Aniline and substituted anilines Chlorobenzenes Aralkylamines Aryl chlorides Secondary alcohols 1,2-aminoalcohols Dialkylamines Primary amines Organofluorides Organochlorides Hydrochlorides Hydrocarbon derivatives Aromatic alcohols Alkyl fluorides
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Trifluoromethylbenzene - Aniline or substituted anilines - Chlorobenzene - Aralkylamine - Halobenzene - Aryl chloride - Aryl halide - 1,2-aminoalcohol - Secondary alcohol - Secondary aliphatic amine - Secondary amine - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organochloride - Organohalogen compound - Primary amine - Aromatic alcohol - Hydrochloride - Hydrocarbon derivative - Organic oxygen compound - Amine - Alkyl halide - Alkyl fluoride - Alcohol - Aromatic homomonocyclic compound
• 説明: This compound belongs to the class of organic compounds known as trifluoromethylbenzenes. These are organofluorine compounds that contain a benzene ring substituted with one or more trifluoromethyl 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

化学的性質と物理的性質

• 分子量: 361.200 g/mol
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 5
• Exact Mass: 360.098 Da
• Monoisotopic Mass: 360.098 Da
• Topological Polar Surface Area: 58.300 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 339.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• 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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