Clorhidrato de S-fenilefrina - ≥98% , CAS No.939-38-8

CAS: 939-38-8 Cat. No.: S348410 Peso molecular: 203.7

GRADE & PURITY ≥98%

Synonyms

clorhidrato de (+)-Fenilefrina | Clorhidrato de S-Fenilefrina | Clorhidrato de (+)-Fenilefrina HCl | Clorhidrato de 3-[(1S)-1-hidroxi-2-(metilamino)etil]fenol | Clorhidrato de (S)-Fenilefrina | Clorhidrato de S(+)-Mezaton

Storage

Almacenar a -20°C,cargado con argón

Shipped In

Hielera + almohadillas de hielo

Descripción general

el clorhidrato de (S)-fenilefrina es un isómero del clorhidrato de (R)-fenilefrina (P320640). Es un agonista selectivo del receptor α1-adrenérgico utilizado como descongestionante, vasopresor y agente dilatador de la pupila

Specifications

Sinónimos

clorhidrato de (+)-Fenilefrina | Clorhidrato de S-Fenilefrina | Clorhidrato de (+)-Fenilefrina HCl | Clorhidrato de 3-[(1S)-1-hidroxi-2-(metilamino)etil]fenol | Clorhidrato de (S)-Fenilefrina | Clorhidrato de S(+)-Mezaton

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Almacenar a -20°C, cargado con argón

Enviado en

Hielera + almohadillas de hielo

Pureza

≥98%

Nombres e identificadores

• Sonrisas canónicas: CNCC(C1=CC(=CC=C1)O)O.Cl
• IUPAC Name: 3-[(1S)-1-hydroxy-2-(methylamino)ethyl]phenol;hydrochloride
• InChIKey: OCYSGIYOVXAGKQ-SBSPUUFOSA-N
• INCHI: 1S/C9H13NO2.ClH/c1-10-6-9(12)7-3-2-4-8(11)5-7;/h2-5,9-12H,6H2,1H3;1H/t9-;/m1./s1
• Isómeros SMILES: CNC[C@H](C1=CC(=CC=C1)O)O.Cl
• Peso molecular: 203.7
• Reaxy-Rn: 3631744
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3631744&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Phenols
      • Subclass 1-hydroxy-4-unsubstituted benzenoids

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Phenols
• Subclass: 1-hydroxy-4-unsubstituted benzenoids
• Intermediate Tree Nodes: Not available
• Direct Parent: 1-hydroxy-4-unsubstituted benzenoids
• Alternative Parents: Aralkylamines 1-hydroxy-2-unsubstituted benzenoids Benzene and substituted derivatives Secondary alcohols 1,2-aminoalcohols Dialkylamines Hydrochlorides Hydrocarbon derivatives Aromatic alcohols
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Aralkylamine - Monocyclic benzene moiety - 1,2-aminoalcohol - Secondary alcohol - Secondary aliphatic amine - Secondary amine - Alcohol - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organic oxygen compound - Amine - Aromatic alcohol - Hydrochloride - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as 1-hydroxy-4-unsubstituted benzenoids. These are phenols that are unsubstituted at the 4-position.
• 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: DMSO (Slightly), Ethanol (Slightly), Methanol (Slightly)
• Sensibilidad: Moisture sensitive
• Punto de ebullición (°C): 368.8° C at 760 mmHg (Predicted)
• Punto de fusión (°C): 138 - 143°C
• Peso molecular: 203.660 g/mol
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 203.071 Da
• Monoisotopic Mass: 203.071 Da
• Topological Polar Surface Area: 52.500 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 130.000
• 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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