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

CAS: 54238-51-6 Cat. No.: M397403 Formule: C₁₄H₂₀ClF₃N₂O · HCl Poids moléculaire: 361.23 Numéro CE: 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

Vue d’ensemble

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

Specifications

Synonymes

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

Spécifications et pureté

1000μg/ml in methanol

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Noms et identifiants

• Pubchem Sid: 528776558
• Sourires canoniques: 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
• Isomères SMILES: CCC(C)(C)NCC(C1=CC(=C(C(=C1)Cl)N)C(F)(F)F)O.Cl
• Poids moléculaire: 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
    • Classe Benzene and substituted derivatives
      • Subclass Trifluoromethylbenzenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: 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
• Description: 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

Propriétés chimiques et physiques

• Poids moléculaire: 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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