基本情報
- CAS
71735-15-4- 標準SMILES
CCCOC(=O)c1ccc(N)cc1- InChIKey
NBFQYHKHPBMJJV-UHFFFAOYSA-N- 分子式
- C10H13NO2
- 平均分子量
- 179.22 g/mol
- 単同位体質量
- 179.09462866
概要
RN given refers to parent cpd
名称と識別子
- 優先名称
- Risocaine
- IUPAC
- propyl 4-aminobenzoate
- 現地名
- 4-アミノ安息香酸プロピル
- 英語名
- N-Propyl 4-aminobenzoate
- 分子式
- C10H13NO2
- 分子量
- 179.22
名称と別名
RisocainePropyl 4-aminobenzoate94-12-2Propyl p-aminobenzoate4-(Propoxycarbonyl)anilineBenzoic acid, 4-amino-, propyl esterNSC-23516Benzoic acid, p-amino-, propyl esterp-Aminobenzoic acid propyl esterDTXSID3046299NSC235165CQ88I59ZI
名称をさらに表示
4-アミノ安息香酸プロピルリソカインP-アミノ安息香酸プロピル4-アミノ安息香酸N-プロピルエステルPropesinkeloformpPropesine
DTXCID1026299RefChem:883651202-306-1PropazylPropaesinPropylcainRaythesinKeloform P
データベース識別子
- 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
物性
構造計算による物性
- XLogP
- 2.4
- 極性表面積
- 52.3 Ų
- 水素結合供与体数
- 1
- 水素結合受容体数
- 3
- 回転可能結合数
- 4
- 重原子数
- 13
- 形式電荷
- 0
- 複雑度
- 162
実験および物理化学的性質
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/
物理化学的性質
- 融点
- 75 · 75-80 °C
安全と法規制
安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。
GHS分類
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.
危険有害性情報
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%)
安全と保護具
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.
毒性情報
Interactions
During intubation for respiratory distress, 28-yr-old white man was administered cetacaine (benzocaine, butyl aminobenzoate butamben, and tetracaine) spray & benzocaine ointment. 90 min later, patient was cyanotic despite ventilation and methemoglobin content was 29% of total hemoglobin. /Butyl aminobenzoate butamben/
化学と産業
薬理情報
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.
用途と製造
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/
関連反応
1 件
化合物ノート
読み込み中…