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| CAS No.: | 54063-53-5 | |
|---|---|---|
| Name: | Propafenone | |
| Article Data: | 5 | |
| Molecular Structure: | ||
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| Formula: | C21H27NO3 | |
| Molecular Weight: | 341.45 | |
| Synonyms: | (RS)-Propafenone;GP 382;Polfenon;SA 79;1-[2-(2-hydroxy-3-propylamino-propoxy)phenyl]-3-phenyl-propan-1-one;1-Propanone,1-[2-[2-hydroxy-3-(propylamino)propoxy]phenyl]-3-phenyl-; | |
| EINECS: | 258-955-6 | |
| Density: | 1.096 g/cm3 | |
| Melting Point: | 171 - 174oC | |
| Boiling Point: | 519.6 °C at 760 mmHg | |
| Flash Point: | 268 °C | |
| Solubility: | Slightly soluble in water | white crystalline powder |
| Hazard Symbols: |
 T
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| Risk Codes: | 46-22 | |
| Safety: | 53-36/37/39-45 | |
| PSA: | 58.56000 | |
| LogP: | 3.63230 | |
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Specification
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. |
5. Safety information of Propafenone
Hazard Codes:
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T Risk Statements: 46-22
46: May cause heritable genetic damage.
22: Harmful if swallowed.
Safety Statements: 53-36/37/39-45
53: Avoid exposure - obtain special instruction before use.
36/37/39: Wear suitable protective clothing, gloves and eye/face protection.
45: In case of accident or if you feel unwell, seek medical advice immediately (show label where possible).
WGK Germany: 3
RTECS: UH2833000
When you are using this chemical, please be cautious about it as the following:
This chemical is harmful if swallowed and it may cause heritable genetic damage.When you are using it, wear suitable protective clothing, gloves and eye/face protection, you also need avoid exposure - obtain special instructions before use. In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
6. Physical Properties of Propafenone
| 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 |
7. Uses of Propafenone
Propafenone is an antiarrhythmia agent that is particularly effective in ventricular arrhythmias. It also has weak beta-blocking activity. The drug is generally well tolerated. It can be used to prolong the time to recurrence of paroxysmal atrial fibrillation/flutter (PAF) associated with disabling symptoms in patients without structural heart disease. Also used for the treatment of life-threatening documented ventricular arrhythmias, such as sustained ventricular tachycardia. This chemical is an antiarrhythmia agent that is particularly effective in ventricular arrhythmias. It works by slowing the influx of sodium ions into the cardiac muscle cells, causing a decrease in excitability of the cells.