Product Name

  • Name

    Sofalcone

  • EINECS 1308068-626-2
  • CAS No. 64506-49-6
  • Article Data1
  • CAS DataBase
  • Density 1.149 g/cm3 
  • Solubility
  • Melting Point 143-144°
  • Formula C27H30O6
  • Boiling Point 650 °C at 760 mmHg
  • Molecular Weight 450.532
  • Flash Point 215.2 °C
  • Transport Information
  • Appearance
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 64506-49-6 (Sofalcone)
  • Hazard Symbols
  • Synonyms Aceticacid, [5-[(3-methyl-2-butenyl)oxy]-2-[3-[4-[(3-methyl-2-butenyl)oxy]phenyl]-1-oxo-2-propenyl]phenoxy]-(9CI);SU 88;Solon;
  • PSA 82.06000
  • LogP 5.73610

Sofalcone Chemical Properties

Molecular Formula: C27H30O6
Molecular Weight of Sofalcone (CAS NO.64506-49-6): 450.52
Flash Point: 215.2 °C 
Index of Refraction: 1.578 
Molar Refractivity: 130.2 cm3 
Molar Volume: 391.8 cm3 
Surface Tension: 43.7 dyne/cm 
Density: 1.149 g/cm3 
Boiling Point: 650 °C at 760 mmHg 
Enthalpy of Vaporization: 100.68 kJ/mol 
Vapour Pressure: 8.75E-18 mmHg at 25 °C
Structure of Sofalcone (CAS NO.64506-49-6):
                 
IUPAC Name: 2-[5-(3-Methylbut-2-enoxy)-2-[(E)-3-[4-(3-methylbut-2-enoxy)phenyl]prop-2-enoyl]phenoxy]acetic acid
Canonical SMILES: CC(=CCOC1=CC=C(C=C1)C=CC(=O)C2=C(C=C(C=C2)OCC=C(C)C)OCC(=O)O)C
Isomeric SMILES: CC(=CCOC1=CC=C(C=C1)/C=C/C(=O)C2=C(C=C(C=C2)OCC=C(C)C)OCC(=O)O)C
InChI: InChI=1S/C27H30O6/c1-19(2)13-15-31-22-8-5-21(6-9-22)7-12-25(28)24-11-10-23(32-16-14-20(3)4)17-26(24)33-18-27(29)30/h5-14,17H,15-16,18H2,1-4H3,(H,29,30)/b12-7+
InChIKey: GFWRVVCDTLRWPK-KPKJPENVSA-N

Sofalcone Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
dog LD50 oral > 20gm/kg (20000mg/kg)   Yakuri to Chiryo. Pharmacology and Therapeutics. Vol. 10, Pg. 61, 1982.
mouse LD50 intraperitoneal 609mg/kg (609mg/kg) SENSE ORGANS AND SPECIAL SENSES: OTHER: EYE
BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX)		 Yakuri to Chiryo. Pharmacology and Therapeutics. Vol. 10, Pg. 61, 1982.
mouse LD50 intravenous 131mg/kg (131mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD
LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION		 Yakuri to Chiryo. Pharmacology and Therapeutics. Vol. 10, Pg. 61, 1982.
mouse LD50 oral > 10gm/kg (10000mg/kg)   Yakuri to Chiryo. Pharmacology and Therapeutics. Vol. 10, Pg. 61, 1982.
mouse LD50 subcutaneous 1130mg/kg (1130mg/kg) SENSE ORGANS AND SPECIAL SENSES: OTHER: EYE
LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION
BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX)		 Yakuri to Chiryo. Pharmacology and Therapeutics. Vol. 10, Pg. 61, 1982.
rat LD50 intraperitoneal 1680mg/kg (1680mg/kg) BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX)
GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA"
SKIN AND APPENDAGES (SKIN): HAIR: OTHER		 Yakuri to Chiryo. Pharmacology and Therapeutics. Vol. 10, Pg. 61, 1982.
rat LD50 intravenous 105mg/kg (105mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)
BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD
LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES		 Yakuri to Chiryo. Pharmacology and Therapeutics. Vol. 10, Pg. 61, 1982.
rat LD50 oral > 10gm/kg (10000mg/kg)   Yakuri to Chiryo. Pharmacology and Therapeutics. Vol. 10, Pg. 61, 1982.
rat LD50 subcutaneous 3900mg/kg (3900mg/kg) SENSE ORGANS AND SPECIAL SENSES: OTHER CHANGES: OLFACTION
SENSE ORGANS AND SPECIAL SENSES: HEMORRHAGE: EYE
LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION		 Yakuri to Chiryo. Pharmacology and Therapeutics. Vol. 10, Pg. 61, 1982.

Sofalcone Safety Profile

Experimental teratogenic and reproductive effects. When heated to decomposition it emits acrid smoke and fumes.

Sofalcone Specification

 Sofalcone , its cas register number is 64506-49-6. It also can be called SU 88 ; 2'-Carboxymethoxy-4,4'-bis(3-methyl-2-butenyloxy)chalcone ; Sofalcona ; Solon ; and {5-[(3-Methyl-2-butenyl)oxy]-2-{p-[(3-methyl-2-butenyl)oxy]cinnamoyl}phenoxy}acetic acid . Sofalcone (CAS NO.64506-49-6) is an oral gastrointestinal medication. It is a synthetic derivative of sophoradin which is a polyphenol found in Sophora subprostrata (or Sophora tonkinensis ) as a herb used in traditional Chinese medicine.

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