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

CAS: 66532-86-3 Cat. No.: P341856 Formule: C₁₄H₂₀N₂O₃•HCl Poids moléculaire: 300.78

QUALITÉ & PURETÉ ≥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

Vue d’ensemble

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.

Spécifications

Synonymes

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-

Spécifications et pureté

≥98%

Conditions de stockage de stockage

Store at 2-8°C,Argon charged

Expédié en

Wet ice

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Pureté

≥98%

Noms et identifiants

Pubchem Sid

488187421

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488187421

Sourires canoniques

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

Isomères SMILES

CCN(CC)CC(=O)OC1=CC=C(C=C1)NC(=O)C.Cl

CAS alternatif

66532-85-2

Poids moléculaire

300.78

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Classe 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
• Classe: 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
• Description: 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

Mécanismes d'action

Propriétés chimiques et physiques

• Solubilité: H2O: 20 mg/mL, clear
• Point de fusion (°C): 226-235° C
• Poids moléculaire: 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

XLogP3