Dropropizine

The Dropropizine is an organic compound with the formula C₁₃H₂₀N₂O₂. The IUPAC name of this chemical is 3-(4-phenylpiperazin-1-yl)propane-1,2-diol. With the CAS registry number 17692-31-8, it is also named as 1-Phenyl-4-(2,3-dihydroxypropyl)diethylenediamine. The product's classification codes are Antitussive agents; Central Nervous System Agents; Drug / Therapeutic Agent; Respiratory System Agents. Besides, it is a cough suppressant.

Physical properties about Dropropizine are: (1)ACD/LogP: 0.46; (2)ACD/LogD (pH 5.5): -0.31; (3)ACD/LogD (pH 7.4): 0.43; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1.24; (6)ACD/KOC (pH 5.5): 7.26; (7)ACD/KOC (pH 7.4): 39.85; (8)#H bond acceptors: 4; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 6; (11)Polar Surface Area: 24.94 Å²; (12)Index of Refraction: 1.576; (13)Molar Refractivity: 67.01 cm³; (14)Molar Volume: 202.2 cm³; (15)Polarizability: 26.56×10^-24cm³; (16)Surface Tension: 50.5 dyne/cm; (17)Density: 1.168 g/cm³; (18)Flash Point: 220.9 °C; (19)Enthalpy of Vaporization: 70.16 kJ/mol; (20)Boiling Point: 412.7 °C at 760 mmHg; (21)Vapour Pressure: 1.5E-07 mmHg at 25°C.

Preparation: this chemical can be prepared by Aniline and bis (ethanol) amine. The yield is about 66.9%.

Uses of p-Chloropropiophenone: it can be used to Dropropizin-4-methyliodid at temperature of 80 °C. It will need reagent nitromethane with reaction time of 48 hours. The yield is about 87.4%.

When you are using this chemical, please be cautious about it as the following:
It is harmful if swallowed. When you are using it, wear suitable protective clothing.

You can still convert the following datas into molecular structure:
(1)SMILES: OC(CN2CCN(c1ccccc1)CC2)CO
(2)InChI: InChI=1/C13H20N2O2/c16-11-13(17)10-14-6-8-15(9-7-14)12-4-2-1-3-5-12/h1-5,13,16-17H,6-11H2
(3)InChIKey: PTVWPYVOOKLBCG-UHFFFAOYAS
(4)Std. InChI: InChI=1S/C13H20N2O2/c16-11-13(17)10-14-6-8-15(9-7-14)12-4-2-1-3-5-12/h1-5,13,16-17H,6-11H2
(5)Std. InChIKey: PTVWPYVOOKLBCG-UHFFFAOYSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	oral	620mg/kg (620mg/kg)		United States Patent Document. Vol. #4372958,
mouse	LD50	subcutaneous	720mg/kg (720mg/kg)		United States Patent Document. Vol. #4372958,
rat	LD50	intravenous	200mg/kg (200mg/kg)		United States Patent Document. Vol. #3163649,
rat	LD50	oral	750mg/kg (750mg/kg)		United States Patent Document. Vol. #3163649,