Dibenz[b,f][1,4]oxazepine,2-chloro-11-(1-piperazinyl)-

The Amoxapine, with the CAS registry number 14028-44-5 and EINECS registry number 237-867-1, has the systematic name of 2-chloro-11-(piperazin-1-yl)dibenzo[b,f][1,4]oxazepine. It is a kind of crystalline solid, and belongs to the following product categories: Intermediates & Fine Chemicals; Pharmaceuticals; Adrenoceptor. It is a strong norepinephrine reuptake inhibitor and weak serotonin reuptake inhibitor. It also possesses antiadrenergic, anticholinergic, antidopaminergic, antihistamine, and antiserotonergic actions. The molecular formula of this chemical is C₁₇H₁₆ClN₃O.

The physical properties of Amoxapine are as following: (1)ACD/LogP: 2.35; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.06; (4)ACD/LogD (pH 7.4): 1.76; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 9.32; (7)ACD/KOC (pH 5.5): 2.32; (8)ACD/KOC (pH 7.4): 117.52; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 28.07 Å²; (13)Index of Refraction: 1.685; (14)Molar Refractivity: 86.74 cm³; (15)Molar Volume: 228.2 cm³; (16)Polarizability: 34.39×10^-24cm³; (17)Surface Tension: 52.1 dyne/cm; (18)Density: 1.37 g/cm³; (19)Flash Point: 238 °C; (20)Enthalpy of Vaporization: 73.23 kJ/mol; (21)Boiling Point: 469.9 °C at 760 mmHg; (22)Vapour Pressure: 5.32E-09 mmHg at 25°C.

Preparation and uses of Amoxapine: o-(p-chlorophenoxy) benzene Ethyl carbamate react with N-ethyl piperazine-based to give 4-[[o-(p-chlorophenoxy)phenyl]carbamoyl]-1-piperazine carboxylate. Then heat it with phosphorus pentoxide and phosphorus oxychloride to reflux. And you can get the aim product with this cyclization reaction. What's more, Amoxapine is used in the treatment of depression, anxiety disorders, panic disorder, and bipolar disorder.

You should be cautious while dealing with this chemical. It is harmful if swallowed. Therefore, you had better take the wear suitable protective clothing.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc2ccc1Oc4c(/N=C(\c1c2)N3CCNCC3)cccc4
(2)InChI: InChI=1/C17H16ClN3O/c18-12-5-6-15-13(11-12)17(21-9-7-19-8-10-21)20-14-3-1-2-4-16(14)22-15/h1-6,11,19H,7-10H2
(3)InChIKey: QWGDMFLQWFTERH-UHFFFAOYAA

The toxicity data is as follows: