Record Information
Version1.0
Creation date2010-04-08 22:08:18 UTC
Update date2019-11-26 03:03:23 UTC
Primary IDFDB008899
Secondary Accession NumbersNot Available
Chemical Information
FooDB NameAlbumin
DescriptionPerflutren, 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. Albumin is found in brazil nut, common wheat, and ginger.
CAS Number76-19-7
Structure
Thumb
Synonyms
SynonymSource
1,1,1,2,2,3,3,3-OctafluoropropaneChEBI
DefinityChEBI
FC 218ChEBI
Freon 218ChEBI
OctafluorpropanChEBI
OktafluorpropanChEBI
PerfluoropropaneChEBI
MRX-115MeSH
C3F8-GasMeSH
OctafluoropropaneMeSH
PerflutrenChEBI
1,1,1,2,2,3,3,3-octafluoropropanebiospider
Albumin humanbiospider
Albumin, humanbiospider
Albuminar-20biospider
Albuminar-25biospider
Albuminar-5biospider
Albumins, humanbiospider
Alburxbiospider
Albutein 25% Soln Uspbiospider
Albutein 5% Soln Uspbiospider
Buminate 25%biospider
Buminate 5%biospider
C3F8-gasbiospider
Definity (TN)biospider
Diluent for allergenic extract sterile albumin saline with phenolbiospider
FC 218 (refrigerant)biospider
Flexbuminbiospider
Genetron 218biospider
Human albuminbiospider
Human albumin - perflutrenbiospider
Jeanatopebiospider
Liposome-encapsulated perfluoropane microspherebiospider
Octafluoropropane-lipid microspherebiospider
Optisonbiospider
Perfluoropropane - albuminbiospider
Perflutren - human albuminbiospider
Perflutren (jan/usan/inn)biospider
Perflutren [usan]biospider
Perflutren and human albuminbiospider
Perflutren lipid microspherebiospider
Perflutren-lipid microspherebiospider
Propane, 1,1,1,2,2,3,3,3-octafluoro-biospider
Propane, octafluoro-biospider
Predicted Properties
PropertyValueSource
Water Solubility0.15 g/LALOGPS
logP2.96ALOGPS
logP2.78ChemAxon
logS-3.1ALOGPS
Physiological Charge0ChemAxon
Hydrogen Acceptor Count0ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area0 ŲChemAxon
Rotatable Bond Count2ChemAxon
Refractivity17.54 m³·mol⁻¹ChemAxon
Polarizability7.1 ųChemAxon
Number of Rings0ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleNoChemAxon
Chemical FormulaC3F8
IUPAC nameoctafluoropropane
InChI IdentifierInChI=1S/C3F8/c4-1(5,2(6,7)8)3(9,10)11
InChI KeyQYSGYZVSCZSLHT-UHFFFAOYSA-N
Isomeric SMILESFC(F)(F)C(F)(F)C(F)(F)F
Average Molecular Weight188.0193
Monoisotopic Molecular Weight187.98722564
Classification
Description Belongs to the class of organic compounds known as organofluorides. Organofluorides are compounds containing a chemical bond between a carbon atom and a fluorine atom.
KingdomOrganic compounds
Super ClassOrganohalogen compounds
ClassOrganofluorides
Sub ClassNot Available
Direct ParentOrganofluorides
Alternative Parents
Substituents
  • Hydrocarbon derivative
  • Organofluoride
  • Alkyl halide
  • Alkyl fluoride
  • Aliphatic acyclic compound
Molecular FrameworkAliphatic acyclic compounds
External Descriptors
Ontology
Disposition

Route of exposure:

Source:

Biological location:

Role

Industrial application:

Physico-Chemical Properties - Experimental
Physico-Chemical Properties - Experimental
PropertyValueReference
Physical stateLiquid
Physical DescriptionNot Available
Mass CompositionNot Available
Melting PointNot Available
Boiling PointNot Available
Experimental Water SolubilityNot Available
Experimental logPNot Available
Experimental pKaNot Available
Isoelectric pointNot Available
ChargeNot Available
Optical RotationNot Available
Spectroscopic UV DataNot Available
DensityNot Available
Refractive IndexNot Available
Spectra
Spectra
EI-MS/GC-MS
TypeDescriptionSplash KeyView
Predicted GC-MSAlbumin, non-derivatized, Predicted GC-MS Spectrum - 70eV, Positivesplash10-014i-2900000000-1c4d54db68db7728c485Spectrum
Predicted GC-MSAlbumin, non-derivatized, Predicted GC-MS Spectrum - 70eV, PositiveNot AvailableSpectrum
MS/MS
TypeDescriptionSplash KeyView
Predicted MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-000i-0900000000-6b79ae428278352a78b9Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-000i-0900000000-6b79ae428278352a78b9Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-000i-0900000000-6b79ae428278352a78b9Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-000i-0900000000-cc191d48d2ad5e868d2aSpectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-000i-0900000000-cc191d48d2ad5e868d2aSpectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-000i-0900000000-cc191d48d2ad5e868d2aSpectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-000i-0900000000-4604890c23cdb9b72a79Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-000i-0900000000-4604890c23cdb9b72a79Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-000i-0900000000-7b496954f720560a7d22Spectrum
NMRNot Available
ChemSpider ID6192
ChEMBL IDCHEMBL1663
KEGG Compound IDNot Available
Pubchem Compound ID6432
Pubchem Substance IDNot Available
ChEBI ID31980
Phenol-Explorer IDNot Available
DrugBank IDDB00556
HMDB IDHMDB14696
CRC / DFC (Dictionary of Food Compounds) IDNot Available
EAFUS ID71
Dr. Duke IDALBUMIN
BIGG IDNot Available
KNApSAcK IDNot Available
HET IDNot Available
Food Biomarker OntologyNot Available
VMH IDNot Available
Flavornet IDNot Available
GoodScent IDNot Available
SuperScent IDNot Available
Wikipedia IDNot Available
Phenol-Explorer Metabolite IDNot Available
Duplicate IDSNot Available
Old DFC IDSNot Available
Associated Foods
FoodContent Range AverageReference
FoodReference
Biological Effects and Interactions
Health Effects / BioactivitiesNot Available
EnzymesNot Available
PathwaysNot Available
MetabolismNot Available
BiosynthesisNot Available
Organoleptic Properties
FlavoursNot Available
Files
MSDSNot Available
References
Synthesis ReferenceNot Available
General ReferenceNot Available
Content Reference— Duke, James. 'Dr. Duke's Phytochemical and Ethnobotanical Databases. United States Department of Agriculture.' Agricultural Research Service, Accessed April 27 (2004).