Grundinformationen
- CAS
71735-15-4- Standard-SMILES
CCCOC(=O)c1ccc(N)cc1- InChIKey
NBFQYHKHPBMJJV-UHFFFAOYSA-N- Summenformel
- C10H13NO2
- Durchschnittliche Molmasse
- 179,22 g/mol
- Monoisotopische Masse
- 179,09462866
Überblick
RN given refers to parent cpd
Namen und Bezeichner
- Bevorzugter Name
- Risocaine
- IUPAC
- propyl 4-aminobenzoate
- Lokaler Name
- Risocain
- Englischer Name
- N-Propyl 4-aminobenzoate
- Summenformel
- C10H13NO2
- Molmasse
- 179.22
Namen und Synonyme
RisocainePropyl 4-aminobenzoate94-12-2Propyl p-aminobenzoate4-(Propoxycarbonyl)anilineBenzoic acid, 4-amino-, propyl esterNSC-23516Benzoic acid, p-amino-, propyl esterp-Aminobenzoic acid propyl esterDTXSID3046299NSC235165CQ88I59ZI
Weitere Namen anzeigen
PropesinkeloformpPropesine
DTXCID1026299RefChem:883651202-306-1PropazylPropaesinPropylcainRaythesinKeloform P
Datenbank-Bezeichner
- CAS
71735-15-4、94-12-2- PubChem CID
- 7174
- DTXSID
DTXSID3046299- ChEMBL
CHEMBL2107010- UNII
- 5CQ88I59ZI
- EC Number
- 202-306-1、275-926-3
- Nikkaji
- J4.693K
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 2,4
- Polarare Oberfläche (TPSA)
- 52,3 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 4
- Schwere Atome
- 13
- Formalladung
- 0
- Komplexität
- 162
Experimentelle und physikochemische Eigenschaften
SpringerMaterials PropertiesFusion temperature
LogP
log Kow = 2.43
2.43
Color/FormPrisms
Solubility
Very soluble in benzene, ether, ethanol, chloroform
In water, 842 mg/L at 37 °C
Melting Point75 °C
Vapor Pressure8.15X10-4 mm Hg at 25 °C /Estimated/
Henry's Law ConstantHenry's Law constant = 2.2X10-8 atm-cu m/mole at 25 °C /Estimated/
Dissociation ConstantspKa = 2.49 (conjugate acid)
Other Experimental Properties
7.31 MG/CU M= 1 PPM
Hydroxyl radical reaction rate constant = 3.8X10-11 cu cm/molecule-sec at 25 °C /Estimated/
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Gefahrenhinweise
Regulatory InformationChemical: Benzoic acid, 4-amino-, propyl ester
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Sicherheit und Schutzausrüstung
Disposal Methods
SRP: The most favorable course of action is to use an alternative chemical product with less inherent propensity for occupational exposure or environmental contamination. Recycle any unused portion of the material for its approved use or return it to the manufacturer or supplier. Ultimate disposal of the chemical must consider: the material's impact on air quality; potential migration in soil or water; effects on animal, aquatic, and plant life; and conformance with environmental and public health regulations.
Toxikologische Informationen
Interactions
Chemie und Industrie
Pharmakologische Informationen
Metabolism/MetabolitesOrally or sc administered PABA esters are rapidly hydrolyzed by mammalian system to the alcohol and the free acid. /PABA esters/
Absorption, Distribution and Excretion
Brain uptake of local anesthetics under steady-state plasma condition and/or following intravenous bolus administration was investigated in rats. All ester-type anesthetics examined such as ethyl (Et), propyl (Pr), butyl (Bu) esters of p-aminobenzoic acid (PABA), and procaine disappeared rapidly from plasma in a dose-dependent manner. Plasma profiles of these compounds were well explained by a 2-compartment model with a Michaelis-Menten type elimination process from a central compartment. ... Extents of brain uptake (brain-to-plasma partition coefficient, Kp value) of these drugs were det ermined at 3 different steady-state plasma concentrations (1-15 microM). The Kp value of each drug was similar under the three different steady-state plasma concentrations. The Kp value increased in the following order; procaine (1.1) less than PABA-Et (1.9) less than lidocaine (2.2) less than PABA-Pr (2.7) less than PABA-Bu (3.6). A linear relationship was observed between the Kp value and the logarithmic value of the partition coefficient obtained in n-heptane/water or n-octanol/water partition system.
Verwendung und Herstellung
Uses
MEDICATION
Propyl p-aminobenzoate is used as local anesthetic and antipruritic.
Formulations/PreparationsTrade names: Keloform P; Propesin; Propazyl; Propaesin; Propesine; Propylcain; Raythesin; Risocaina; Risocaine; and Risocanium.
General Manufacturing Information
The relations between chemical structures, physicochemical properties, chemical reactivity and local anesthetic activity in the iso anesthesin series was studied. The duration of action of propesin was 14 min in rabbits.
Some local anesthetics.../are/ poorly soluble in water and...too slowly absorbed to be toxic. They can be applied directly to wounds and ulcerated surfaces where they remain localized for long periods of time... The most important members...are benzocaine, USP (...anesthesin)... /anesthesin/
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