2-Thiophenecarboxylicacid, 4-methyl-3-[[1-oxo-2-(propylamino)propyl]amino]-, methyl ester (23964-58-1)

The IUPAC name of Articaine is methyl 4-methyl-3-[2-(propylamino)propanoylamino]thiophene-2-carboxylate. With the CAS registry number 23964-58-1, it is also named as 4-Methyl-3-(2-(propylamino)propionamido)-2-thiophenecarboxylic acid, methyl ester. The classification codes are Anesthetic; Anesthetics; Anesthetics, Local; Central Nervous System Agents; Central Nervous System Depressants; Peripheral Nervous System Agents; Sensory System Agents. Articaine is white or white crystalline powder which is a new generation of dental local anesthetic and is the most widely used local anesthetic in a number of European countries and available in many countries around the world.

The other characteristics of this product can be summarized as: (1)ACD/LogP: 1.91; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.2; (4)ACD/LogD (pH 7.4): 1.47; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 6.02; (7)ACD/KOC (pH 5.5): 2.05; (8)ACD/KOC (pH 7.4): 94.19; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 7; (12)Index of Refraction: 1.556; (13)Molar Refractivity: 77.59 cm³; (14)Molar Volume: 241.3 cm³; (15)Polarizability: 30.75×10^-24 cm³; (16)Surface Tension: 43.8 dyne/cm; (17)Enthalpy of Vaporization: 69.78 kJ/mol; (18)Vapour Pressure: 5.79E-08 mmHg at 25°C; (19)Rotatable Bond Count: 7; (20)Tautomer Count: 4; (21)Exact Mass: 284.119463; (22)MonoIsotopic Mass: 284.119463; (23)Topological Polar Surface Area: 95.7; (24)Heavy Atom Count: 19; (25)Complexity: 325.

Uses of Articaine: It is especially used for surgical operation which is involving osteotomy and mucous membranes. And it is the only dental local anesthetic which is supplied in the domestic market. In addition, Articaine is generally made as injection with adrenaline. Besides, articaine is used both for infiltration and block injections in dentistry. 

People can use the following data to convert to the molecule structure. 
1. SMILES: O=C(Nc1c(scc1C)C(=O)OC)C(NCCC)C;
2. InChI: InChI=1/C13H20N2O3S/c1-5-6-14-9(3)12(16)15-10-8(2)7-19-11(10)13(17)18-4/h7,9,14H,5-6H2,1-4H3,(H,15,16).