Propacetamol HCl - ≥98% , CAS No.66532-86-3

CAS: 66532-86-3 Cat. No.: P341856 Peso molecular: 300.78

GRADE & PURITY ≥98%

Synonyms

Isopropyl-N-fenyl-carbamaat [Dutch] | 4-Acetamidophenyl 2-(Diethylamino)Acetate HCl | (4-acetamidophenyl) 2-(diethylamino)ethanoate hydrochloride | FT-0655178 | Pro-efferalgan | 4-Acetamidophenyl N,N-diethylaminoacetate monohydrochloride | Q27289205 | AC-

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Descripción general

application：

Propacetamol HCl is a prodrug of paracetamol (acetaminophen) with improved water solubility. Propacetamol HCl is an analgesic drug delivered by IV when oral application of NSAID is not appropriate or contradicted.

Specifications

Sinónimos

Isopropyl-N-fenyl-carbamaat [Dutch] | 4-Acetamidophenyl 2-(Diethylamino)Acetate HCl | (4-acetamidophenyl) 2-(diethylamino)ethanoate hydrochloride | FT-0655178 | Pro-efferalgan | 4-Acetamidophenyl N, N-diethylaminoacetate monohydrochloride | Q27289205 | AC-

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Argon charged

Enviado en

Wet ice

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

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 488187421
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488187421
• Sonrisas canónicas: CCN(CC)CC(=O)OC1=CC=C(C=C1)NC(=O)C.Cl
• IUPAC Name: (4-acetamidophenyl) 2-(diethylamino)acetate;hydrochloride
• InChIKey: WGTYJNGARJPYKG-UHFFFAOYSA-N
• INCHI: 1S/C14H20N2O3.ClH/c1-4-16(5-2)10-14(18)19-13-8-6-12(7-9-13)15-11(3)17;/h6-9H,4-5,10H2,1-3H3,(H,15,17);1H
• Isómeros SMILES: CCN(CC)CC(=O)OC1=CC=C(C=C1)NC(=O)C.Cl
• CAS alternativo: 66532-85-2
• Peso molecular: 300.78

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Clase Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Amino acids and derivatives
          • Level6 Alpha amino acids and derivatives
            • Level7 Alpha amino acid esters

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Clase: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Amino acids and derivatives - Alpha amino acids and derivatives
• Direct Parent: Alpha amino acid esters
• Alternative Parents: Phenol esters Acetanilides N-acetylarylamines Phenoxy compounds Acetamides Trialkylamines Secondary carboxylic acid amides Carboxylic acid esters Monocarboxylic acids and derivatives Organopnictogen compounds Organic oxides Hydrochlorides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Alpha-amino acid ester - Acetanilide - Phenol ester - N-acetylarylamine - Anilide - Phenoxy compound - N-arylamide - Monocyclic benzene moiety - Benzenoid - Acetamide - Carboxamide group - Carboxylic acid ester - Secondary carboxylic acid amide - Tertiary amine - Tertiary aliphatic amine - Monocarboxylic acid or derivatives - Organic oxide - Organooxygen compound - Organonitrogen compound - Amine - Organic nitrogen compound - Carbonyl group - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Hydrochloride - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as alpha amino acid esters. These are ester derivatives of alpha amino acids.
• 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

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: H2O: 20 mg/mL, clear
• Punto de fusión (°C): 226-235° C
• Peso molecular: 300.780 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 7
• Exact Mass: 300.124 Da
• Monoisotopic Mass: 300.124 Da
• Topological Polar Surface Area: 58.600 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 295.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• 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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