Basic information
- Name:
Levodropropizine
- CAS No.:
99291-25-5
- Molecular Structure:
- Formula:
- C13H20N2O2
- Molecular Weight:
- 236.31
- Synonyms:
- (-)-Dropropizine;1,2-Propanediol,3-(4-phenyl-1-piperazinyl)-,(2S)-;DF 526;Levodropropizina [INN-Spanish];Levodropropizine [INN];1,2-Propanediol, 3-(4-phenylpiperazin-1-yl)-, S(-)-;Levodropropizinum [INN-Latin];Levotuss;Danka;(2S)-3-(4-phenylpiperazin-1-yl)propane-1,2-diol;(-)-(S)-3-(4-Phenyl-1-piperazinyl)-1,2-propanediol;S(-)-3-(4-Phenylpiperazin-1-yl)propane-1,2-diol;1,2-Propanediol, 3-(4-phenylpiperazin-1-yl)-, S(-)-;S(-)-3-(4-Phenylpiperazin-1-yl)propane-1,2-diol;
- Density:
- 1.168 g/cm3
- Melting Point:
- 98-100 °C
- Boiling Point:
- 412.7 °C at 760 mmHg
- Flash Point:
- 220.9 °C
- Appearance:
- white solid
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Specification
The Levodropropizine with CAS registry number of 99291-25-5 is also called 1,2-Propanediol,3-(4-phenylpiperazin-1-yl)-, S(-)-. The IUPAC name is (2S)-3-(4-phenylpiperazin-1-yl)propane-1,2-diol. In addition, the formula is C13H20N2O2 and the molecular weight is 236.3101. It is belongs to the classes of Aromatics; Heterocycles; Intermediates & Fine Chemicals; Pharmaceuticals. And it is a kind of white solid.
Physical properties about Levodropropizine are: (1)ACD/LogP: 0.46; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.31; (4)ACD/LogD (pH 7.4): 0.43; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1.24; (7)ACD/KOC (pH 5.5): 7.26; (8)ACD/KOC (pH 7.4): 39.85; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 24.94 Å2; (13)Index of Refraction: 1.576; (14)Molar Refractivity: 67.01 cm3; (15)Molar Volume: 202.2 cm3; (16)Polarizability: 26.56 ×10-24cm3; (17)Surface Tension: 50.5 dyne/cm; (18)Density: 1.168 g/cm3; (19)Flash Point: 220.9 °C; (20)Enthalpy of Vaporization: 70.16 kJ/mol; (21)Boiling Point: 412.7 °C at 760 mmHg; (22)Vapour Pressure: 1.5E-07 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1)SMILES: O[C@@H](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/t13-/m0/s1
(3)InChIKey: PTVWPYVOOKLBCG-ZDUSSCGKBV
The toxicity data is as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| guinea pig | LD50 | oral | 2493mg/kg (2493mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD GASTROINTESTINAL: OTHER CHANGES | Arzneimittel-Forschung. Drug Research. Vol. 38, Pg. 1150, 1988. |
| mouse | LD50 | intraperitoneal | 408mg/kg (408mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) | Arzneimittel-Forschung. Drug Research. Vol. 38, Pg. 1150, 1988. |
| mouse | LD50 | oral | 1281mg/kg (1281mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) GASTROINTESTINAL: OTHER CHANGES | Arzneimittel-Forschung. Drug Research. Vol. 38, Pg. 1150, 1988. |
| rat | LD50 | intraperitoneal | 401mg/kg (401mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) | Arzneimittel-Forschung. Drug Research. Vol. 38, Pg. 1150, 1988. |
| rat | LD50 | oral | 887mg/kg (887mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) GASTROINTESTINAL: OTHER CHANGES | Arzneimittel-Forschung. Drug Research. Vol. 38, Pg. 1150, 1988. |