Benzamide,4-amino-5-chloro-N-[2-(diethylamino)ethyl]-2-methoxy-

The CAS registry number of Metoclopramide is 364-62-5. With the EINECS registry number 206-662-9, its systematic name is 4-amino-5-chloro-N-[2-(diethylamino)ethyl]-2-methoxybenzamide. In addition, the molecular formula is C₁₄H₂₂ClN₃O₂. What's more, it should be stored in sealed container, and put in a cool and dry place.

Physical properties about this chemical are: (1)ACD/LogP: 2.22; (2)ACD/LogD (pH 5.5): -0.85; (3)ACD/LogD (pH 7.4): 0.04; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 2.54; (8)#H bond acceptors: 5; (9)#H bond donors: 3; (10)#Freely Rotating Bonds: 8; (11)Polar Surface Area: 36.02 Å²; (12)Index of Refraction: 1.553; (13)Molar Refractivity: 82.57 cm³; (14)Molar Volume: 257.8 cm³; (15)Polarizability: 32.73 ×10^-24cm³; (16)Surface Tension: 43.8 dyne/cm; (17)Density: 1.162 g/cm³; (18)Flash Point: 207 °C; (19)Enthalpy of Vaporization: 67.23 kJ/mol; (20)Boiling Point: 418.7 °C at 760 mmHg; (21)Vapour Pressure: 3.22E-07 mmHg at 25°C.

Preparation of Metoclopramide: It can start with the esterification, acylation and methylation of p-aminosalicylic acid, and gives methyl p-acetamido-methoxybenzoate. The methyl p-acetamido-methoxybenzoate can go through chlorination, amination and hydrolysis to give the desired product.

Uses of Metoclopramide: it can be used to get metoclopramide N-oxide. This reaction will need reagent m-chloroperbenzoic acid and solvent CH₂Cl₂. The reaction time is 20 minutes with ambient temperature.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc1cc(c(OC)cc1N)C(=O)NCCN(CC)CC
(2)Std. InChI: InChI=1S/C14H22ClN3O2/c1-4-18(5-2)7-6-17-14(19)10-8-11(15)12(16)9-13(10)20-3/h8-9H,4-7,16H2,1-3H3,(H,17,19)
(3)Std. InChIKey: TTWJBBZEZQICBI-UHFFFAOYSA-N

The toxicity data is as follows: