1. Introduction of Propafenone
Propafenone is one kind of powder. The IUPAC name of this chemical is 1-[2-[2-hydroxy-3-(propylamino)propoxy]phenyl]-3-phenylpropan-1-one. It also can be called as 1-Propanone, 1-(2-(2-hydroxy-3-(propylamino)propoxy)phenyl)-3-phenyl-. It belongs to the Propafenone. The Classification Code of Propafenone is Anti-arrhythmia agents; Cardiovascular Agents; Drug / Therapeutic Agent; Human Data; Mutation data. It can slightly soluble in water.
2. Properties of Propafenone
Physical properties about Propafenone are: (1)ACD/LogP: 3.93; (2)ACD/LogD (pH 5.5): 0.9; (3)ACD/LogD (pH 7.4): 1.97; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 6.25; (6)ACD/KOC (pH 5.5): 3.04; (7)ACD/KOC (pH 7.4): 35.75; (8)#H bond acceptors: 4; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 12; (11)Polar Surface Area: 38.77Å2; (12)Index of Refraction: 1.557; (13)Molar Refractivity: 100.33 cm3; (14)Molar Volume: 311.4 cm3; (15)Polarizability: 39.77x10-24cm3; (16)Surface Tension: 44 dyne/cm; (17)Enthalpy of Vaporization: 83.42 kJ/mol; (18)Boiling Point: 519.6 °C at 760 mmHg; (19)Vapour Pressure: 1.27E-11 mmHg at 25°C.
3. Structure Descriptors of Propafenone
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(c1ccccc1OCC(O)CNCCC)CCc2ccccc2
(2)InChI: InChI=1/C21H27NO3/c1-2-14-22-15-18(23)16-25-21-11-7-6-10-19(21)20(24)13-12-17-8-4-3-5-9-17/h3-11,18,22-23H,2,12-16H2,1H3
(3)InChIKey: JWHAUXFOSRPERK-UHFFFAOYAI
(4)Std. InChI: InChI=1S/C21H27NO3/c1-2-14-22-15-18(23)16-25-21-11-7-6-10-19(21)20(24)13-12-17-8-4-3-5-9-17/h3-11,18,22-23H,2,12-16H2,1H3
(5)Std. InChIKey: JWHAUXFOSRPERK-UHFFFAOYSA-N
4. Toxicity of Propafenone
The toxicity data is as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
man | LDLo | oral | 4286ug/kg (4.286mg/kg) | CARDIAC: EKG CHANGES NOT DIAGNOSTIC OF ABOVE CARDIAC: PULSE RATE INCREASE WITHOUT FALL IN BP LUNGS, THORAX, OR RESPIRATION: RESPIRATORY STIMULATION | Postgraduate Medical Journal. Vol. 60, Pg. 155, 1984. |
man | TDLo | oral | 42858ug/kg/5D (42.858mg/kg) | BEHAVIORAL: "HALLUCINATIONS, DISTORTED PERCEPTIONS" BEHAVIORAL: MUSCLE CONTRACTION OR SPASTICITY) | Therapie. Vol. 45, Pg. 161, 1990. |
man | TDLo | oral | 116mg/kg (116mg/kg) | BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD BEHAVIORAL: COMA CARDIAC: EKG CHANGES NOT DIAGNOSTIC OF ABOVE | Annals of Emergency Medicine. Vol. 24, Pg. 98, 1994. |
man | TDLo | unreported | 251mg/kg/2Y-I (251mg/kg) | LIVER: "JAUNDICE, CHOLESTATIC" | Deutsche Medizinische Wochenschrift. Vol. 109, Pg. 1525, 1984. |
mouse | LD50 | oral | 440mg/kg (440mg/kg) | Japanese Journal of Toxicology. Vol. 4, Pg. 121, 1991. | |
women | TDLo | oral | 36mg/kg/3D-I (36mg/kg) | BEHAVIORAL: "HALLUCINATIONS, DISTORTED PERCEPTIONS" BEHAVIORAL: TOXIC PSYCHOSIS BEHAVIORAL: ALTERATION OF CLASSICAL CONDITIONING | Journal of Clinical Psychiatry. Vol. 46, Pg. 104, 1985. |
women | TDLo | oral | 1404mg/kg/78D (1404mg/kg) | SKIN AND APPENDAGES (SKIN): "DERMATITIS, ALLERGIC: AFTER SYSTEMIC EXPOSURE" | Annals of Internal Medicine. Vol. 104, Pg. 589, 1986. |
Physical Property | Value | Units | Temp (deg C) | Source |
---|---|---|---|---|
log P (octanol-water) | 3.370 | (none) | EST | |
Atmospheric OH Rate Constant | 1.32E-10 | cm3/molecule-sec | 25 | EST |
About|Contact|Cas|Product Name|Molecular|Country|Encyclopedia
Message|New Cas|MSDS|Service|Advertisement|CAS DataBase|Article Data|Manufacturers | Chemical Catalog
©2008 LookChem.com,License: ICP
NO.:Zhejiang16009103
complaints:service@lookchem.com Desktop View