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Basic information

  • Name:
  • 1-Propanone,1-[2-[2-hydroxy-3-(propylamino)propoxy]phenyl]-3-phenyl-

  • Superlist Name:
  • Propafenone
  • CAS No.:
  • 54063-53-5

  • Molecular Structure:
  • Formula:
  • C21H27NO3
  • Molecular Weight:
  • 377.91
  • Deleted CAS:
  • 107300-59-4
  • Synonyms:
  • (RS)-Propafenone;GP 382;Polfenon;Propafenone;SA 79;1-[2-(2-hydroxy-3-propylamino-propoxy)phenyl]-3-phenyl-propan-1-one;
  • EINECS:
  • 258-955-6
  • Density:
  • 1.096 g/cm3
  • Boiling Point:
  • 519.6 °C at 760 mmHg
  • Flash Point:
  • 268 °C
  • Solubility:
  • Slightly soluble in water Details
  • particular:
  • particular

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Specification

The CAS register number of Propafenone is 54063-53-5. It also can be called as 1-Propanone, 1-(2-(2-hydroxy-3-(propylamino)propoxy)phenyl)-3-phenyl- and the IUPAC name about this chemical is 1-[2-[2-hydroxy-3-(propylamino)propoxy]phenyl]-3-phenylpropan-1-one. The molecular formula about this chemical is C21H27NO3 and the molecular weight is 341.45. It belongs to the Propafenone. This chemical 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 works by slowing the influx of sodium ions into the cardiac muscle cells, causing a decrease in excitability of the cells.

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.

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.)

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

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.
 

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