Propacetamol

HCID 68865CAS 66532-85-2

Grundinformationen

Standard-SMILES
CCN(CC)CC(=O)Oc1ccc(NC(C)=O)cc1
InChIKey
QTGAJCQTLIRCFL-UHFFFAOYSA-N
Summenformel
C14H20N2O3
Durchschnittliche Molmasse
264,32 g/mol
Monoisotopische Masse
264,1473925

Überblick

Propacetamol is an alpha-amino acid ester.

Namen und Bezeichner

Bevorzugter Name
Propacetamol
IUPAC
(4-acetamidophenyl) 2-(diethylamino)acetate
Lokaler Name
Propacetamol
Englischer Name
Propacetamol
Summenformel
C14H20N2O3
Molmasse
264.32

Namen und Synonyme

Propacetamol66532-85-2PropacetamolumDTXSID30578005CHW4JMR82DTXCID70315894-acetamidophenyl 2-(diethylamino)acetateRefChem:176249N02BE05N, N-diethylglycine 4'-hydroxyacetanilide ester266-390-1(4-acetamidophenyl) 2-(diethylamino)acetate
Weitere Namen anzeigen
PropacetamoPro-DafalganPropacatemolPropacetamol USP/EP/BP4-Acetamidophenyl N,N-diethylglycinate4-acetamidophenyl N,N-diethylaminoacetateN,N-Diethylglycine 4-(acetylamino)phenyl ester(Diethylamino)acetic acid 4-(acetylamino)phenyl
Propacetamol [INN]Glycine, N,N-diethyl-, 4-(acetylamino)phenyl esterPropacetamol (INN)Propacetamolum [Latin]EINECS 266-390-1Propacetamol [INN:BAN]UNII-5CHW4JMR82Propacetamol (Standard)

Datenbank-Bezeichner

CAS
66532-85-2
PubChem CID
68865
DTXSID
DTXSID3057800
ChEMBL
CHEMBL1851805
ChEBI
CHEBI:135089
UNII
5CHW4JMR82
EC Number
266-390-1
Nikkaji
J32.504J

Eigenschaften

Berechnete Struktureigenschaften

XLogP
1,1
Polarare Oberfläche (TPSA)
58,6 Ų
H-Brücken-Donoren
1
H-Brücken-Akzeptoren
4
Frei drehbare Bindungen
7
Schwere Atome
19

Experimentelle und physikochemische Eigenschaften

Chemical ClassesOther Uses -> Pharmaceuticals
DrugsPharmaceuticals -> Listed in ZINC15
SolubilitySoluble
Boiling Point434.5ºC at 760 mmHg

Physikochemische Eigenschaften

Schmelzpunkt
55 · 55-57 °C
Siedepunkt
434.5 · 434.5±30.0 °C(Predicted)
Dichte
1.132 · 1.132±0.06 g/cm3(Predicted)
storage temp.
-20 °C · Store at -20°C
Löslichkeit
2 O · H2O : 100 mg/mL (378.33 mM; Need ultrasonic)
pka
14.2 · 14.20±0.70(Predicted)

Sicherheit und Regulatorisches

Gefahrenhinweise

Hazards SummaryAllergic contact dermatitis reported in nurses (contact and airborne dermatitis); [Kanerva, p. 1829]

Toxikologische Informationen

Adverse EffectsSkin Sensitizer - An agent that can induce an allergic reaction in the skin.
Drug Induced Liver Injury · 4 Einträge

Drug-Induced Liver Injury Severity and Toxicity (DILIst)

Propacetamol

DILI Positive

DOI:10.1016/j.drudis.2019.09.022

Chemie und Industrie

Pharmakologische Informationen

ATC Code · 2 Einträge

N - Nervous system

QN - Nervous system

Protein BindingPropacetamol is very rapidly converted into paracetamol and this later component tends to present a very negligible binding to plasma proteins.
Pharmacodynamics · 1 Eintrag

Propacetamol is hydrolyzed to paracetamol and then it presents a weak inhibition of COX-1 and COX-2 which is translated into a low anti-inflammatory activity. Therefore, in high inflammatory conditions, such as rheumatoid arthritis, these agents show limited in vivo suppression of inflammation and platelet activity. The formation of N-arachidonoylphenolamine, donates paracetamol with analgesic and antipyretic properties.

Mechanism of Action · 1 Eintrag

As propacetamol is a prodrug, its mechanism of action is directly linked to the activity of paracetamol. The mechanism of action of paracetamol is described by the inhibition of prostaglandin synthesis. This inhibition is attained by inhibition of COX-1 and COX-2 in an environment where arachidonic acid and peroxides are kept low. It is considered that paracetamol presents a very complex mechanism of action involving effects in the peripheral system, described by direct COX inhibition; the central system, characterized by inhibition of COX, serotonergic descending neuronal pathway, L-arginine/NO pathway and cannabinoid system; and a redox mechanism. In the brain and spinal cord, paracetamol can combine with arachidonic acid to form N-arachidonoylphenolamine. This metabolite is an activator of capsaicin receptor (TRPV1) and cannabinoid CB1.

Biological Half-LifeThe half-life of propacetamol is of 3.6 h.
Metabolism/Metabolites · 1 Eintrag

After administration, propacetamol is completely converted by plasma esterases into N, N-diethylglycine and paracetamol. The latest is the active metabolite. It is reported that the active metabolite of propacetamol can be transformed to N-acetil-p-benzoquinone imine by CYP2E1 which is a hepatotoxic metabolite.

Verwendung und Herstellung

UsesThis pro-drug of acetaminophen is administered intravenously. [Kanerva, p. 1829]
Anwendungen · 2 Einträge

BeschreibungPropacetamol is the prodrug of paracetamol (acetaminophen), used for intravenous administration. It results from eombination of paracetamol and diethylglycine. Causes contact dermatitis and airborne dermatitis in nurses. Allergenic properties are due to the N,N' -diethylglycine moiety, and not to the paracetamol moiety.

VerwendenPropacetamol hydrochloride is a water-soluble prodrug for intravenous administration resulting in the liberation of paracetamol.

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