octafluoropropane

• ChemBase ID: 438
• Molecular Formular: C3F8
• Molecular Mass: 188.0193256
• Monoisotopic Mass: 187.98722576
• SMILES: FC(F)(C(F)(F)F)C(F)(F)F
• Canonical SMILES: FC(C(F)(F)F)(C(F)(F)F)F
• InChI: InChI=1S/C3F8/c4-1(5,2(6,7)8)3(9,10)11
• InChIKey: QYSGYZVSCZSLHT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: octafluoropropane
• IUPAC Traditional name: perflutren; definity
• Brand Name: Definity; Freon 218; Genetron 218; Octafluoropropane; Perfluoropropane; Perfluoropropane 99+%; Perfluoropropaneminimum; Perflutren [USAN]; Propane, octafluoro-
• Synonyms: Perflutren; Octafluoropropane; Perfluoropropane (PFC-218) 99.9%; Freon 218; Perfluoropropane; RC 218, PFC 218; R218; Flutec PP30; genetron 218; Octafluoropropane

Database IDs

• CAS Number: 76-19-7
• MDL Number: MFCD00039239
• PubChem SID: 160963901; 46506030
• PubChem CID: 6432
• CHEBI ID: 31980
• CHEMBL: 1663
• Chemspider ID: 6192
• DrugBank ID: DB00556
• KEGG ID: D01738
• Unique Ingredient Identifier: CK0N3WH0SR
• Wikipedia Title: Octafluoropropane

CALCULATED PROPERTIES

JChem

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.78236
• LogD (pH = 7.4): 2.78236
• Log P: 2.78236
• Molar Refractivity: 17.5372 cm^3
• Polarizability: 6.707999 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

ALOGPS 2.1

• Log P: 2.96
• LOG S: -3.11
• Solubility (Water): 1.46e-01 g/l

PROPERTIES

Physical Property

• Solubility: 5.7 mg/L
• Apperance: Colorless gas with; faintly sweet odor
• Melting Point: -183 °C (90.15 K); -183°C
• Boiling Point: -36.7 °C (236.45 K); -39°C
• Flash Point: N/A; none°C
• Density: 1.352; 8.17 g/l, gas
• Hydrophobicity(logP): 3

Safety Information

• Storage Warning: Flammable
• RTECS: TZ5255000
• Safety Statements: R R: ?; S: ?
• Main Hazard: Suffocation
• NFPA704:
  

  1

DETAILS

DrugBank - DB00556

• Drug Groups: approved
• Description: Perflutren, a diagnostic drug that is intended to be used for contrast enhancement during the indicated echocardiographic procedures, is comprised of lipid-coated microspheres filled with octafluoropropane(OFP) gas. When exposed to ultrasound waves, the microspheres resonate and "echo" strong signals back to the ultrasound machine. The difference in density between the gas-filled bubbles and the blood around them creates an increased level of contrast visible in the resulting ultrasound image. During echocardiography, activated Perflutren enhances images of the inner edges or borders of the heart, producing an improved image that may enable physicians to better diagnose patients.
• Indication: Use in patients with suboptimal echocardiograms to opacify the left ventricular chamber and to improve the delineation of the left ventricular endocardial border.
• Pharmacology: Perflutren, a diagnostic drug that is intended to be used for contrast enhancement during the indicated echocardiographic procedures, comprised of lipid-coated microspheres filled with octafluoropropane(OFP) gas. It provide contrast enhancement of the endocardial borders during echocardiography. The perflutren lipid microspheres exhibit lower acoustic impedance than blood and enhance the intrinsic backscatter of blood.
• Affected Organisms: Humans and other mammals
• Biotransformation: OFP is not metabolized. The phospholipid components of the microspheres are thought to be metabolized to free fatty acids.
• Half Life: The mean half-life of OFP in blood 1.9 minutes
• External Links: RxList; Drugs.com

Apollo Scientific Ltd - PC6210

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