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Record Information |
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Version | 5.0 |
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Status | Expected but not Quantified |
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Creation Date | 2012-09-06 15:16:50 UTC |
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Update Date | 2022-03-07 02:51:42 UTC |
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HMDB ID | HMDB0014696 |
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Secondary Accession Numbers | |
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Metabolite Identification |
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Common Name | Perflutren |
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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. |
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Structure | InChI=1S/C3F8/c4-1(5,2(6,7)8)3(9,10)11 |
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Synonyms | Value | Source |
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1,1,1,2,2,3,3,3-Octafluoropropane | ChEBI | Definity | ChEBI | FC 218 | ChEBI | Freon 218 | ChEBI | Octafluorpropan | ChEBI | Oktafluorpropan | ChEBI | Perfluoropropane | ChEBI | MRX-115 | MeSH | C3F8-Gas | MeSH | Octafluoropropane | MeSH | Perflutren | ChEBI |
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Chemical Formula | C3F8 |
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Average Molecular Weight | 188.0193 |
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Monoisotopic Molecular Weight | 187.98722564 |
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IUPAC Name | octafluoropropane |
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Traditional Name | definity |
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CAS Registry Number | 76-19-7 |
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SMILES | FC(F)(F)C(F)(F)C(F)(F)F |
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InChI Identifier | InChI=1S/C3F8/c4-1(5,2(6,7)8)3(9,10)11 |
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InChI Key | QYSGYZVSCZSLHT-UHFFFAOYSA-N |
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Chemical Taxonomy |
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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. |
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Kingdom | Organic compounds |
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Super Class | Organohalogen compounds |
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Class | Organofluorides |
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Sub Class | Not Available |
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Direct Parent | Organofluorides |
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Alternative Parents | |
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Substituents | - Hydrocarbon derivative
- Organofluoride
- Alkyl halide
- Alkyl fluoride
- Aliphatic acyclic compound
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Molecular Framework | Aliphatic acyclic compounds |
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External Descriptors | |
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Ontology |
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Disposition
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Biological location
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Physical Properties |
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State | Liquid |
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Experimental Molecular Properties | Property | Value | Reference |
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Melting Point | -147.6 °C | Not Available | Boiling Point | Not Available | Not Available | Water Solubility | 0.15 g/L | Not Available | LogP | 3 | Not Available |
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Experimental Chromatographic Properties | Not Available |
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Predicted Molecular Properties | |
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Predicted Chromatographic Properties | Predicted Collision Cross SectionsPredicted Kovats Retention IndicesUnderivatized |
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Spectra |
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| GC-MS SpectraSpectrum Type | Description | Splash Key | Deposition Date | Source | View |
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Predicted GC-MS | Predicted GC-MS Spectrum - Perflutren GC-MS (Non-derivatized) - 70eV, Positive | splash10-014i-2900000000-1c4d54db68db7728c485 | 2017-09-01 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Perflutren GC-MS (Non-derivatized) - 70eV, Positive | Not Available | 2021-10-12 | Wishart Lab | View Spectrum |
MS/MS SpectraSpectrum Type | Description | Splash Key | Deposition Date | Source | View |
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Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Perflutren 10V, Positive-QTOF | splash10-000i-0900000000-6b79ae428278352a78b9 | 2016-08-01 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Perflutren 20V, Positive-QTOF | splash10-000i-0900000000-6b79ae428278352a78b9 | 2016-08-01 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Perflutren 40V, Positive-QTOF | splash10-000i-0900000000-6b79ae428278352a78b9 | 2016-08-01 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Perflutren 10V, Negative-QTOF | splash10-000i-0900000000-cc191d48d2ad5e868d2a | 2016-08-03 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Perflutren 20V, Negative-QTOF | splash10-000i-0900000000-cc191d48d2ad5e868d2a | 2016-08-03 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Perflutren 40V, Negative-QTOF | splash10-000i-0900000000-cc191d48d2ad5e868d2a | 2016-08-03 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Perflutren 10V, Positive-QTOF | splash10-000i-0900000000-4604890c23cdb9b72a79 | 2021-09-23 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Perflutren 20V, Positive-QTOF | splash10-000i-0900000000-4604890c23cdb9b72a79 | 2021-09-23 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Perflutren 40V, Positive-QTOF | splash10-000i-0900000000-7b496954f720560a7d22 | 2021-09-23 | Wishart Lab | View Spectrum |
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Biological Properties |
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Cellular Locations | - Membrane (predicted from logP)
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Biospecimen Locations | |
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Tissue Locations | Not Available |
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Pathways | |
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Normal Concentrations |
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Blood | Expected but not Quantified | Not Quantified | Not Available | Not Available | Taking drug identified by DrugBank entry DB00556 | | details | Urine | Expected but not Quantified | Not Quantified | Not Available | Not Available | Taking drug identified by DrugBank entry DB00556 | | details |
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Abnormal Concentrations |
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| Not Available |
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Associated Disorders and Diseases |
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Disease References | None |
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Associated OMIM IDs | None |
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External Links |
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DrugBank ID | DB00556 |
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Phenol Explorer Compound ID | Not Available |
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FooDB ID | FDB008899 |
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KNApSAcK ID | Not Available |
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Chemspider ID | 6192 |
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KEGG Compound ID | Not Available |
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BioCyc ID | Not Available |
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BiGG ID | Not Available |
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Wikipedia Link | Contrast-enhanced ultrasound |
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METLIN ID | Not Available |
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PubChem Compound | 6432 |
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PDB ID | Not Available |
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ChEBI ID | 31980 |
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Food Biomarker Ontology | Not Available |
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VMH ID | Not Available |
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MarkerDB ID | Not Available |
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Good Scents ID | Not Available |
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References |
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Synthesis Reference | Not Available |
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Material Safety Data Sheet (MSDS) | Not Available |
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General References | - Quinones A, Benenstein R, Saric M: New-onset seizure after perflutren microbubble injection during dobutamine stress echocardiography. Echocardiography. 2013 Apr;30(4):E95-7. doi: 10.1111/echo.12149. Epub 2013 Feb 22. [PubMed:23432576 ]
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