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CAS No.: | 17692-31-8 |
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Name: | Dropropizine |
Article Data: | 9 |
Molecular Structure: | |
Formula: | C13H20N2O2 |
Molecular Weight: | 236.314 |
Synonyms: | 3-(4-Phenyl-1-piperazinyl)-1,2-propanediol;Catabex;Ditustat;Dopropizin;Katril;Larylin;Ribex;Tussilex;U.C.B. 1967; |
EINECS: | 241-683-7 |
Density: | 1.168 g/cm3 |
Melting Point: | 105-108oC |
Boiling Point: | 412.7 °C at 760 mmHg |
Flash Point: | 220.9 °C |
Appearance: | white or almost white powder |
Hazard Symbols: | Xn |
Risk Codes: | 22 |
Safety: | 36 |
PSA: | 46.94000 |
LogP: | 0.16470 |
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, |