2-(diethylamino)ethyl 4-amino-2-chlorobenzoate

• ChemBase编号: 1032
• 分子式: C13H19ClN2O2
• 平均质量: 270.75516
• 单一同位素质量: 270.11350554
• SMILES: Clc1c(C(=O)OCCN(CC)CC)ccc(N)c1
• Canonical SMILES: CCN(CCOC(=O)c1ccc(cc1Cl)N)CC
• InChI: InChI=1S/C13H19ClN2O2/c1-3-16(4-2)7-8-18-13(17)11-6-5-10(15)9-12(11)14/h5-6,9H,3-4,7-8,15H2,1-2H3
• InChIKey: VDANGULDQQJODZ-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-(diethylamino)ethyl 4-amino-2-chlorobenzoate
• IUPAC传统名: chloroprocaine
• 商标名: Nesacaine-MPF; Nesacaine-CE; Halestyn
• 别名: Chloroprocaine hydrochloride; Chloroprocain; Chlorprocaine; Chloroprocaine

登记号

• CAS号: 133-16-4
• PubChem SID: 46508245; 160964495
• PubChem CID: 8612
• CHEBI ID: 3636
• ATC码: N01BA04
• CHEMBL: 1179047
• Chemspider ID: 8293
• DrugBank ID: DB01161
• KEGG ID: D07678
• 美国药典/FDA物质标识码: 5YVB0POT2H
• 维基百科标题: Chloroprocaine

理论计算性质

JChem

• 质子受体: 3
• 质子供体: 1
• LogD (pH = 5.5): -0.69620055
• LogD (pH = 7.4): 0.91574985
• Log P: 2.484102
• 摩尔折射率: 75.1048 cm^3
• 极化性: 28.5181 Å^3
• 极化表面积: 55.56 Å^2
• 可自由旋转的化学键: 7
• 里宾斯基五规则: true

ALOGPS 2.1

• Log P: 2.72
• LOG S: -2.32
• 溶解度: 1.30e+00 g/l

分子性质

理化性质

• 溶解度: 0.665 mg/mL
• 疏水性(logP): 2.5

详细说明

DrugBank - DB01161

• Drug Groups: approved
• Description: Chloroprocaine hydrochloride is a local anesthetic given by injection during surgical procedures and labor and delivery. Chloroprocaine, like other local anesthetics, blocks the generation and the conduction of nerve impulses, presumably by increasing the threshold for electrical excitation in the nerve, by slowing the propagation of the nerve impulse and by reducing the rate of rise of the action potential.
• Indication: For the production of local anesthesia by infiltration and peripheral nerve block. They are not to be used for lumbar or caudal epidural anesthesia.
• Pharmacology: Chloroprocaine is an anesthetic agent indicated for production of local or regional anesthesia, particularly for oral surgery. Chloroprocaine (like cocaine) has the advantage of constricting blood vessels which reduces bleeding, unlike other local anesthetics like lidocaine. Chloroprocaine is an ester anesthetic.
• Toxicity: In mice, the intravenous LD₅₀ of chloroprocaine HCl is 97 mg/kg and the subcutaneous LD₅₀ of chloroprocaine HCl is 950 mg/kg.
• Affected Organisms: Humans and other mammals
• Biotransformation: Chloroprocaine is rapidly metabolized in plasma by hydrolysis of the ester linkage by pseudocholinesterase.
• Absorption: The rate of systemic absorption of local anesthetic drugs is dependent upon the total dose and concentration of drug administered, the route of administration, the vascularity of the administration site, and the presence or absence of epinephrine in the anesthetic injection.
• Half Life: 21 +/- 2 seconds
• Elimination: Chloroprocaine is rapidly metabolized in plasma by hydrolysis of the ester linkage by pseudocholinesterase. Urinary excretion is affected by urinary perfusion and factors affecting urinary pH.
• External Links: Wikipedia; RxList