Propacetamol hydrochloride - 10mM in DMSO , CAS No.66532-86-3

CAS: 66532-86-3 Cat. No.: P425348 Molecular Weight: 300.78

GRADE & PURITY 10mM in DMSO

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 -80°C

Shipped In

Dry ice packs + Cold packs

Overview

Information

Propacetamol hydrochloride (PRO) is a water-soluble prodrug of paracetamol (PA) which can be parenterally administered as analgesic for the treatment of postoperative pain, acute trauma, and gastric and/or intestinal disorders.

Specifications

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-

Specifications & Purity

10mM in DMSO

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

This product requires cold chain shipping. Ground and other economy services are not available.

Names and Identifiers

• Canonical Smiles: 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
• Isomeric SMILES: CCN(CC)CC(=O)OC1=CC=C(C=C1)NC(=O)C.Cl
• Alternate CAS: 66532-85-2
• Molecular Weight: 300.78

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class 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
• Class: 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

Mechanisms of Action

Chemical and Physical Properties

• Melt Point(°C): 226-235° C
• Molecular Weight: 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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