Meluadrine Tartrate , CAS No.134865-37-5

CAS: 134865-37-5 Cat. No.: M927683 Formula: C₁₆H₂₄ClNO₈ Peso molecolare: 393.800

Storage

Room temperature

Specifications

Condizioni di conservazione di stoccaggio

Room temperature

Tipo di azione

AGONIST

Nomi e identificatori

• Sorrisi canonici: CC(C)(C)NC[C@@H](C1=C(C=C(C=C1)O)Cl)O.[C@@H]([C@H](C(=O)O)O)(C(=O)O)O
• IUPAC Name: 4-[(1R)-2-(tert-butylamino)-1-hydroxyethyl]-3-chlorophenol;(2R,3R)-2,3-dihydroxybutanedioic acid
• InChIKey: VVIVBRYHTLRZGY-MBANBULQSA-N
• INCHI: 1S/C12H18ClNO2.C4H6O6/c1-12(2,3)14-7-11(16)9-5-4-8(15)6-10(9)13;5-1(3(7)8)2(6)4(9)10/h4-6,11,14-16H,7H2,1-3H3;1-2,5-6H,(H,7,8)(H,9,10)/t11-;1-,2-/m01/s1
• Peso molecolare: 393.800

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Phenols
      • Subclass Halophenols
        • Level5 Chlorophenols
          • Level6 M-chlorophenols

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Phenols
• Subclass: Halophenols
• Intermediate Tree Nodes: Chlorophenols
• Direct Parent: M-chlorophenols
• Alternative Parents: Chlorobenzenes Aralkylamines 1-hydroxy-2-unsubstituted benzenoids Dicarboxylic acids and derivatives Aryl chlorides Secondary alcohols 1,2-aminoalcohols Dialkylamines Organopnictogen compounds Organochlorides Hydrocarbon derivatives Aromatic alcohols
• Molecular Framework: Not available
• Substituents: 3-chlorophenol - 1-hydroxy-2-unsubstituted benzenoid - Aralkylamine - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - 1,2-aminoalcohol - Secondary alcohol - Secondary amine - Secondary aliphatic amine - Organic nitrogen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Aromatic alcohol - Hydrocarbon derivative - Organopnictogen compound - Organic oxygen compound - Amine - Alcohol - Aromatic homomonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as m-chlorophenols. These are chlorophenols carrying a iodine at the C3 position of the 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

Proprietà chimiche e fisiche

• Peso molecolare: 393.800 g/mol
• Hydrogen Bond Donor Count: 7
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 7
• Exact Mass: 393.119 Da
• Monoisotopic Mass: 393.119 Da
• Topological Polar Surface Area: 168.000 Ų
• Heavy Atom Count: 26
• Formal Charge: 0
• Complexity: 351.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 3
• 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

Domande frequenti

How should this product be stored?

Store at room temperature.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 134865-37-5, the molecular formula is C16H24ClNO8, and the molecular weight is 393.800 g/mol. InChIKey VVIVBRYHTLRZGY-MBANBULQSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.