Perflutren

Identification

Name
Perflutren
Accession Number
DB00556  (APRD01177)
Type
Small Molecule
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.

Structure
Thumb
Synonyms
  • 1,1,1,2,2,3,3,3-Octafluoropropane
  • FC 218
  • Freon 218
  • Octafluoropropane
  • Octafluorpropan
  • Oktafluorpropan
  • Perfluoropropane
  • Perflutren
External IDs
DMP 115 / DMP-115 / FS069 / MRX-115
Prescription Products
NameDosageStrengthRouteLabellerMarketing StartMarketing End
DefinitySuspension150 mclIntravenousLantheus Mi Canada Inc2002-02-16Not applicableCanada
DefinityInjection, suspension6.52 mg/mLIntravenousLantheus Medical Imaging2001-07-31Not applicableUs
LuminityInjection, solution150 μl/mlIntravenousLantheus Mi Canada Inc2006-09-20Not applicableEu
LuminityInjection, solution150 μl/mlIntravenousLantheus Mi Canada Inc2006-09-20Not applicableEu
International/Other Brands
Definity
Categories
UNII
CK0N3WH0SR
CAS number
76-19-7
Weight
Average: 188.0193
Monoisotopic: 187.98722564
Chemical Formula
C3F8
InChI Key
QYSGYZVSCZSLHT-UHFFFAOYSA-N
InChI
InChI=1S/C3F8/c4-1(5,2(6,7)8)3(9,10)11
IUPAC Name
octafluoropropane
SMILES
FC(F)(F)C(F)(F)C(F)(F)F

Pharmacology

Indication

Used as an ultrasound contrast imaging in cardiology and radiology.

Structured Indications
Not Available
Pharmacodynamics

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.

Mechanism of action

Perflutren is comprised of gas-filled microspheres that are injected or infused into the body. 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.

Absorption
Not Available
Volume of distribution
Not Available
Protein binding
Not Available
Metabolism

OFP is not metabolized. The phospholipid components of the microspheres are thought to be metabolized to free fatty acids.

Route of elimination
Not Available
Half life

The mean half-life of OFP in blood 1.9 minutes

Clearance
Not Available
Toxicity

There is new temporal evidence that perflutren may be associated with new-onset seizure activity following perflutren microbubble contrast injection during dobutamine-atropine stress echocardiography. [PMID: 23432576]

Affected organisms
  • Humans and other mammals
Pathways
Not Available
Pharmacogenomic Effects/ADRs
Not Available

Interactions

Drug Interactions
DrugInteractionDrug group
AlfuzosinAlfuzosin may increase the QTc-prolonging activities of Perflutren.Approved, Investigational
AmantadineAmantadine may increase the QTc-prolonging activities of Perflutren.Approved
AmiodaronePerflutren may increase the QTc-prolonging activities of Amiodarone.Approved, Investigational
AmitriptylineAmitriptyline may increase the QTc-prolonging activities of Perflutren.Approved
AmoxapineAmoxapine may increase the QTc-prolonging activities of Perflutren.Approved
AnagrelidePerflutren may increase the QTc-prolonging activities of Anagrelide.Approved
ApomorphineApomorphine may increase the QTc-prolonging activities of Perflutren.Approved, Investigational
ArformoterolArformoterol may increase the QTc-prolonging activities of Perflutren.Approved, Investigational
AripiprazoleAripiprazole may increase the QTc-prolonging activities of Perflutren.Approved, Investigational
Arsenic trioxidePerflutren may increase the QTc-prolonging activities of Arsenic trioxide.Approved, Investigational
ArtemetherPerflutren may increase the QTc-prolonging activities of Artemether.Approved
AsenapinePerflutren may increase the QTc-prolonging activities of Asenapine.Approved
AtazanavirAtazanavir may increase the QTc-prolonging activities of Perflutren.Approved, Investigational
AtomoxetineAtomoxetine may increase the QTc-prolonging activities of Perflutren.Approved
AzithromycinAzithromycin may increase the QTc-prolonging activities of Perflutren.Approved
BedaquilinePerflutren may increase the QTc-prolonging activities of Bedaquiline.Approved
BortezomibBortezomib may increase the QTc-prolonging activities of Perflutren.Approved, Investigational
BuserelinBuserelin may increase the QTc-prolonging activities of Perflutren.Approved
CeritinibPerflutren may increase the QTc-prolonging activities of Ceritinib.Approved
ChloroquinePerflutren may increase the QTc-prolonging activities of Chloroquine.Approved, Vet Approved
ChlorpromazineChlorpromazine may increase the QTc-prolonging activities of Perflutren.Approved, Vet Approved
CiprofloxacinCiprofloxacin may increase the QTc-prolonging activities of Perflutren.Approved, Investigational
CisapridePerflutren may increase the QTc-prolonging activities of Cisapride.Approved, Investigational, Withdrawn
CitalopramPerflutren may increase the QTc-prolonging activities of Citalopram.Approved
ClarithromycinPerflutren may increase the QTc-prolonging activities of Clarithromycin.Approved
ClomipramineClomipramine may increase the QTc-prolonging activities of Perflutren.Approved, Vet Approved
ClozapineClozapine may increase the QTc-prolonging activities of Perflutren.Approved
CrizotinibPerflutren may increase the QTc-prolonging activities of Crizotinib.Approved
DabrafenibDabrafenib may increase the QTc-prolonging activities of Perflutren.Approved
DasatinibDasatinib may increase the QTc-prolonging activities of Perflutren.Approved, Investigational
DegarelixDegarelix may increase the QTc-prolonging activities of Perflutren.Approved
DesfluraneDesflurane may increase the QTc-prolonging activities of Perflutren.Approved
DesipramineDesipramine may increase the QTc-prolonging activities of Perflutren.Approved
DiphenhydramineDiphenhydramine may increase the QTc-prolonging activities of Perflutren.Approved
DisopyramidePerflutren may increase the QTc-prolonging activities of Disopyramide.Approved
DofetilidePerflutren may increase the QTc-prolonging activities of Dofetilide.Approved
DolasetronPerflutren may increase the QTc-prolonging activities of Dolasetron.Approved
DomperidonePerflutren may increase the QTc-prolonging activities of Domperidone.Approved, Investigational, Vet Approved
DoxepinDoxepin may increase the QTc-prolonging activities of Perflutren.Approved
DronedaronePerflutren may increase the QTc-prolonging activities of Dronedarone.Approved
DroperidolDroperidol may increase the QTc-prolonging activities of Perflutren.Approved, Vet Approved
EliglustatPerflutren may increase the QTc-prolonging activities of Eliglustat.Approved
EribulinEribulin may increase the QTc-prolonging activities of Perflutren.Approved, Investigational
ErythromycinErythromycin may increase the QTc-prolonging activities of Perflutren.Approved, Vet Approved
EscitalopramPerflutren may increase the QTc-prolonging activities of Escitalopram.Approved, Investigational
EzogabineEzogabine may increase the QTc-prolonging activities of Perflutren.Approved
FamotidineFamotidine may increase the QTc-prolonging activities of Perflutren.Approved
FelbamateFelbamate may increase the QTc-prolonging activities of Perflutren.Approved
FingolimodFingolimod may increase the QTc-prolonging activities of Perflutren.Approved, Investigational
FlecainidePerflutren may increase the QTc-prolonging activities of Flecainide.Approved, Withdrawn
FluconazoleFluconazole may increase the QTc-prolonging activities of Perflutren.Approved
FluoxetinePerflutren may increase the QTc-prolonging activities of Fluoxetine.Approved, Vet Approved
FlupentixolPerflutren may increase the QTc-prolonging activities of Flupentixol.Approved, Withdrawn
FormoterolFormoterol may increase the QTc-prolonging activities of Perflutren.Approved, Investigational
FoscarnetFoscarnet may increase the QTc-prolonging activities of Perflutren.Approved
Gadobenic acidPerflutren may increase the QTc-prolonging activities of Gadobenic acid.Approved
GalantamineGalantamine may increase the QTc-prolonging activities of Perflutren.Approved
GemifloxacinPerflutren may increase the QTc-prolonging activities of Gemifloxacin.Approved, Investigational
GoserelinGoserelin may increase the QTc-prolonging activities of Perflutren.Approved
GranisetronPerflutren may increase the QTc-prolonging activities of Granisetron.Approved, Investigational
HaloperidolHaloperidol may increase the QTc-prolonging activities of Perflutren.Approved
HistrelinHistrelin may increase the QTc-prolonging activities of Perflutren.Approved
HydroxyzineHydroxyzine may increase the QTc-prolonging activities of Perflutren.Approved
IbandronateIbandronate may increase the QTc-prolonging activities of Perflutren.Approved, Investigational
IbutilidePerflutren may increase the QTc-prolonging activities of Ibutilide.Approved
IloperidonePerflutren may increase the QTc-prolonging activities of Iloperidone.Approved
ImipramineImipramine may increase the QTc-prolonging activities of Perflutren.Approved
IndacaterolIndacaterol may increase the QTc-prolonging activities of Perflutren.Approved
IndapamideIndapamide may increase the QTc-prolonging activities of Perflutren.Approved
IsofluraneIsoflurane may increase the QTc-prolonging activities of Perflutren.Approved, Vet Approved
IsradipineIsradipine may increase the QTc-prolonging activities of Perflutren.Approved
ItraconazoleItraconazole may increase the QTc-prolonging activities of Perflutren.Approved, Investigational
IvabradineIvabradine may increase the QTc-prolonging activities of Perflutren.Approved
KetoconazoleKetoconazole may increase the QTc-prolonging activities of Perflutren.Approved, Investigational
LapatinibLapatinib may increase the QTc-prolonging activities of Perflutren.Approved, Investigational
LenvatinibPerflutren may increase the QTc-prolonging activities of Lenvatinib.Approved
LeuprolideLeuprolide may increase the QTc-prolonging activities of Perflutren.Approved, Investigational
LevofloxacinPerflutren may increase the QTc-prolonging activities of Levofloxacin.Approved, Investigational
LithiumLithium may increase the QTc-prolonging activities of Perflutren.Approved
LopinavirPerflutren may increase the QTc-prolonging activities of Lopinavir.Approved
LumefantrinePerflutren may increase the QTc-prolonging activities of Lumefantrine.Approved
MaprotilineMaprotiline may increase the QTc-prolonging activities of Perflutren.Approved
MefloquineMefloquine may increase the QTc-prolonging activities of Perflutren.Approved
MethadoneMethadone may increase the QTc-prolonging activities of Perflutren.Approved
MethotrimeprazineMethotrimeprazine may increase the QTc-prolonging activities of Perflutren.Approved
MetoclopramideMetoclopramide may increase the QTc-prolonging activities of Perflutren.Approved, Investigational
MetronidazoleMetronidazole may increase the QTc-prolonging activities of Perflutren.Approved
MifepristoneMifepristone may increase the QTc-prolonging activities of Perflutren.Approved, Investigational
MirabegronMirabegron may increase the QTc-prolonging activities of Perflutren.Approved
MirtazapineMirtazapine may increase the QTc-prolonging activities of Perflutren.Approved
MoexiprilMoexipril may increase the QTc-prolonging activities of Perflutren.Approved
MoxifloxacinMoxifloxacin may increase the QTc-prolonging activities of Perflutren.Approved, Investigational
NelfinavirNelfinavir may increase the QTc-prolonging activities of Perflutren.Approved
NicardipineNicardipine may increase the QTc-prolonging activities of Perflutren.Approved
NilotinibPerflutren may increase the QTc-prolonging activities of Nilotinib.Approved, Investigational
NorfloxacinNorfloxacin may increase the QTc-prolonging activities of Perflutren.Approved
NortriptylineNortriptyline may increase the QTc-prolonging activities of Perflutren.Approved
OctreotideOctreotide may increase the QTc-prolonging activities of Perflutren.Approved, Investigational
OfloxacinPerflutren may increase the QTc-prolonging activities of Ofloxacin.Approved
OlanzapineOlanzapine may increase the QTc-prolonging activities of Perflutren.Approved, Investigational
OlodaterolOlodaterol may increase the QTc-prolonging activities of Perflutren.Approved
OndansetronPerflutren may increase the QTc-prolonging activities of Ondansetron.Approved
OxytocinOxytocin may increase the QTc-prolonging activities of Perflutren.Approved, Vet Approved
PaliperidonePerflutren may increase the QTc-prolonging activities of Paliperidone.Approved
PanobinostatPerflutren may increase the QTc-prolonging activities of Panobinostat.Approved, Investigational
ParoxetineParoxetine may increase the QTc-prolonging activities of Perflutren.Approved, Investigational
PasireotidePasireotide may increase the QTc-prolonging activities of Perflutren.Approved
PazopanibPerflutren may increase the QTc-prolonging activities of Pazopanib.Approved
PentamidinePerflutren may increase the QTc-prolonging activities of Pentamidine.Approved
PimozidePerflutren may increase the QTc-prolonging activities of Pimozide.Approved
PosaconazolePosaconazole may increase the QTc-prolonging activities of Perflutren.Approved, Investigational, Vet Approved
PrimaquinePerflutren may increase the QTc-prolonging activities of Primaquine.Approved
ProcainamidePerflutren may increase the QTc-prolonging activities of Procainamide.Approved
PromazinePromazine may increase the QTc-prolonging activities of Perflutren.Approved, Vet Approved
PromethazinePromethazine may increase the QTc-prolonging activities of Perflutren.Approved
PropafenonePerflutren may increase the QTc-prolonging activities of Propafenone.Approved
PropofolPropofol may increase the QTc-prolonging activities of Perflutren.Approved, Investigational, Vet Approved
ProtriptylineProtriptyline may increase the QTc-prolonging activities of Perflutren.Approved
QuetiapinePerflutren may increase the QTc-prolonging activities of Quetiapine.Approved
QuinidinePerflutren may increase the QTc-prolonging activities of Quinidine.Approved
QuininePerflutren may increase the QTc-prolonging activities of Quinine.Approved
RanolazineRanolazine may increase the QTc-prolonging activities of Perflutren.Approved, Investigational
RilpivirineRilpivirine may increase the QTc-prolonging activities of Perflutren.Approved
RisperidoneRisperidone may increase the QTc-prolonging activities of Perflutren.Approved, Investigational
RitonavirRitonavir may increase the QTc-prolonging activities of Perflutren.Approved, Investigational
SalbutamolSalbutamol may increase the QTc-prolonging activities of Perflutren.Approved, Vet Approved
SalmeterolSalmeterol may increase the QTc-prolonging activities of Perflutren.Approved
SaquinavirPerflutren may increase the QTc-prolonging activities of Saquinavir.Approved, Investigational
SertralineSertraline may increase the QTc-prolonging activities of Perflutren.Approved
SevofluraneSevoflurane may increase the QTc-prolonging activities of Perflutren.Approved, Vet Approved
SolifenacinSolifenacin may increase the QTc-prolonging activities of Perflutren.Approved
SorafenibSorafenib may increase the QTc-prolonging activities of Perflutren.Approved, Investigational
SotalolPerflutren may increase the QTc-prolonging activities of Sotalol.Approved
SulfamethoxazoleSulfamethoxazole may increase the QTc-prolonging activities of Perflutren.Approved
SulfisoxazoleSulfisoxazole may increase the QTc-prolonging activities of Perflutren.Approved, Vet Approved
SunitinibSunitinib may increase the QTc-prolonging activities of Perflutren.Approved, Investigational
TamoxifenTamoxifen may increase the QTc-prolonging activities of Perflutren.Approved
TelavancinPerflutren may increase the QTc-prolonging activities of Telavancin.Approved
TelithromycinPerflutren may increase the QTc-prolonging activities of Telithromycin.Approved
TerbutalineTerbutaline may increase the QTc-prolonging activities of Perflutren.Approved
TetrabenazinePerflutren may increase the QTc-prolonging activities of Tetrabenazine.Approved
ThioridazinePerflutren may increase the QTc-prolonging activities of Thioridazine.Approved, Withdrawn
ThiothixeneThiothixene may increase the QTc-prolonging activities of Perflutren.Approved
TizanidineTizanidine may increase the QTc-prolonging activities of Perflutren.Approved
TolterodineTolterodine may increase the QTc-prolonging activities of Perflutren.Approved, Investigational
ToremifenePerflutren may increase the QTc-prolonging activities of Toremifene.Approved, Investigational
TrazodoneTrazodone may increase the QTc-prolonging activities of Perflutren.Approved, Investigational
TreprostinilTreprostinil may increase the QTc-prolonging activities of Perflutren.Approved, Investigational
TrimethoprimTrimethoprim may increase the QTc-prolonging activities of Perflutren.Approved, Vet Approved
TrimipramineTrimipramine may increase the QTc-prolonging activities of Perflutren.Approved
TriptorelinTriptorelin may increase the QTc-prolonging activities of Perflutren.Approved, Vet Approved
VandetanibPerflutren may increase the QTc-prolonging activities of Vandetanib.Approved
VardenafilVardenafil may increase the QTc-prolonging activities of Perflutren.Approved
VemurafenibPerflutren may increase the QTc-prolonging activities of Vemurafenib.Approved
VenlafaxineVenlafaxine may increase the QTc-prolonging activities of Perflutren.Approved
VilanterolVilanterol may increase the QTc-prolonging activities of Perflutren.Approved
VoriconazoleVoriconazole may increase the QTc-prolonging activities of Perflutren.Approved, Investigational
VorinostatVorinostat may increase the QTc-prolonging activities of Perflutren.Approved, Investigational
ZiprasidonePerflutren may increase the QTc-prolonging activities of Ziprasidone.Approved
ZuclopenthixolPerflutren may increase the QTc-prolonging activities of Zuclopenthixol.Approved, Investigational
Food Interactions
Not Available

References

Synthesis Reference

James L. Webster, Steven H. Swearingen, Douglas W. Bruhnke, Leo E. Manzer, Elrey L. McCann, "Synthesis of perfluoropropane." U.S. Patent US5220083, issued August, 1967.

US5220083
General References
  1. 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]
External Links
Human Metabolome Database
HMDB14696
KEGG Drug
D01738
PubChem Compound
6432
PubChem Substance
46506030
ChemSpider
6192
ChEBI
31980
ChEMBL
CHEMBL1663
PharmGKB
PA164781354
RxList
RxList Drug Page
Drugs.com
Drugs.com Drug Page
Wikipedia
Octafluoropropane
AHFS Codes
  • 36:89.00* — Other Diagnostics
FDA label
Download (584 KB)
MSDS
Download (64 KB)

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
0CompletedDiagnosticRenal Cancers1
0Not Yet RecruitingDiagnosticAsbestosis / Asthma Bronchial / Bronchiectasis / Chronic Obstructive Pulmonary Disease (COPD) / Cold Virus / Cystic Fibrosis (CF) / Emphysema / Interstitial Lung Disease (ILD) / Lung Cancers / Lung Infection / Lung Resection / Lung Transplant / Mesothelioma / Obstructive Sleep Apnea (OSA) / Prophylaxis of Pulmonary embolism / Pulmonary Dysplasia / Pulmonary Fibrosis / Pulmonary Hypertension (PH) / Seasonal Allergies1
0RecruitingDiagnosticAdnexal Masses1
0RecruitingDiagnosticAdult Soft Tissue Sarcoma / Retroperitoneal Sarcoma / Sarcoma, Bone1
1CompletedDiagnosticHepatocellular,Carcinoma1
1RecruitingDiagnosticCancer, Breast1
1TerminatedDiagnosticNeoplasms, Hepatic1
1, 2RecruitingDiagnosticHealthy Volunteers / Physiology1
1, 2TerminatedTreatmentAcute Ischemic Stroke (AIS)1
2CompletedDiagnosticRenal Cell Adenocarcinoma1
2Not Yet RecruitingTreatmentST Segment Elevation Myocardial Infarction (STEMI)1
2RecruitingDiagnosticChronic Kidney Disease (CKD) / Cystic Kidney Disease2
2RecruitingDiagnosticProstatic Neoplasms1
2, 3RecruitingTreatmentExudative Macular Degeneration / Retinal Hemorrhage1
3CompletedTreatmentRetinal Detachment / Vitreoretinopathy, Proliferative1
3RecruitingDiagnosticChemoembolization, Therapeutic / Hepatocellular,Carcinoma1
4Active Not RecruitingDiagnosticCancer, Breast1
4CompletedNot AvailableCardiovascular Disease (CVD)1
4CompletedDiagnosticCancer, Breast1
4CompletedDiagnosticCoronary Artery Disease / Heart Diseases1
4CompletedDiagnosticHypertensive1
4CompletedDiagnosticPulmonary Heart Disease1
4Enrolling by InvitationDiagnosticMyocardial Perfusion Imaging1
4RecruitingDiagnosticCardiac Allograft Vasculopathy1
4RecruitingDiagnosticHypertensive1
Not AvailableActive Not RecruitingDiagnosticIschaemic Cardiomyopathy / Ventricular Tachycardia (VT)1
Not AvailableCompletedNot AvailableCoronary Artery Disease / Type 2 Diabetes Mellitus1
Not AvailableCompletedNot AvailableDiabetes, Diabetes Mellitus Type 11
Not AvailableCompletedNot AvailableEndoleaks1
Not AvailableCompletedDiagnosticCerebrovascular Accidents / Intracranial Pressure Increase1
Not AvailableCompletedDiagnosticCoronary Artery Disease / Myocardial Perfusion Abnormalities1
Not AvailableCompletedDiagnosticNeoplasms, Hepatic1
Not AvailableCompletedDiagnosticRenal Cancers1
Not AvailableNot Yet RecruitingNot AvailableCancer, Breast1
Not AvailableNot Yet RecruitingBasic ScienceClaudication, Intermittent / Peripheral Artery Disease (PAD) / Vasodilation1
Not AvailableNot Yet RecruitingDiagnosticHepatocellular,Carcinoma1
Not AvailableRecruitingBasic ScienceExposure to Man-made Visible Light1
Not AvailableRecruitingDiagnosticCancer, Breast1
Not AvailableTerminatedDiagnosticDuctal Carcinoma In-situ1
Not AvailableUnknown StatusDiagnosticContrast Induced Acute Kidney Injury1
Not AvailableUnknown StatusDiagnosticKidney1
Not AvailableWithdrawnDiagnosticCarotid Stenosis / Coronary Stenosis / Myocardial Reperfusion1
Not AvailableWithdrawnDiagnosticPancreatic Tumors1

Pharmacoeconomics

Manufacturers
  • Lantheus medical imaging inc
Packagers
Dosage forms
FormRouteStrength
Injection, suspensionIntravenous6.52 mg/mL
SuspensionIntravenous150 mcl
Injection, solutionIntravenous150 μl/ml
Prices
Unit descriptionCostUnit
Optison vial56.16USD ml
DrugBank does not sell nor buy drugs. Pricing information is supplied for informational purposes only.
Patents
Patent NumberPediatric ExtensionApprovedExpires (estimated)
US6146657No1992-12-222009-12-22Us
CA2256592No2010-06-012017-06-16Canada
CA2107466No2001-07-032012-03-18Canada
US6033645No1996-06-192016-06-19Us
US8685441No1999-01-132019-01-13Us
US8658205No1999-04-202019-04-20Us
US9545457No1999-01-132019-01-13Us

Properties

State
Liquid
Experimental Properties
PropertyValueSource
melting point (°C)-147.6 °CPhysProp
boiling point (°C)-36.6 °CPhysProp
water solubility5.7 mg/L (at 15 °C)YALKOWSKY,SH & DANNENFELSER,RM (1992)
logP3Not Available
Predicted Properties
PropertyValueSource
Water Solubility0.146 mg/mLALOGPS
logP2.96ALOGPS
logP2.78ChemAxon
logS-3.1ALOGPS
Physiological Charge0ChemAxon
Hydrogen Acceptor Count0ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area0 Å2ChemAxon
Rotatable Bond Count2ChemAxon
Refractivity17.54 m3·mol-1ChemAxon
Polarizability7.1 Å3ChemAxon
Number of Rings0ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleNoChemAxon
Predicted ADMET features
PropertyValueProbability
Human Intestinal Absorption+0.9954
Blood Brain Barrier+0.9907
Caco-2 permeable+0.6518
P-glycoprotein substrateNon-substrate0.8894
P-glycoprotein inhibitor INon-inhibitor0.9583
P-glycoprotein inhibitor IINon-inhibitor0.9396
Renal organic cation transporterNon-inhibitor0.9256
CYP450 2C9 substrateNon-substrate0.865
CYP450 2D6 substrateSubstrate0.5549
CYP450 3A4 substrateNon-substrate0.7591
CYP450 1A2 substrateNon-inhibitor0.6831
CYP450 2C9 inhibitorNon-inhibitor0.8595
CYP450 2D6 inhibitorNon-inhibitor0.9581
CYP450 2C19 inhibitorNon-inhibitor0.8397
CYP450 3A4 inhibitorNon-inhibitor0.9509
CYP450 inhibitory promiscuityLow CYP Inhibitory Promiscuity0.9136
Ames testNon AMES toxic0.9656
CarcinogenicityCarcinogens 0.6661
BiodegradationNot ready biodegradable0.944
Rat acute toxicity1.6879 LD50, mol/kg Not applicable
hERG inhibition (predictor I)Weak inhibitor0.9796
hERG inhibition (predictor II)Non-inhibitor0.9174
ADMET data is predicted using admetSAR, a free tool for evaluating chemical ADMET properties. (23092397)

Spectra

Mass Spec (NIST)
Download (7.49 KB)
Spectra
SpectrumSpectrum TypeSplash Key
Predicted GC-MS Spectrum - GC-MSPredicted GC-MSNot Available
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSNot Available

Taxonomy

Description
This compound belongs to the class of organic compounds known as organofluorides. These are compounds containing a chemical bond between a carbon atom and a fluorine atom.
Kingdom
Organic compounds
Super Class
Organohalogen compounds
Class
Organofluorides
Sub Class
Not Available
Direct Parent
Organofluorides
Alternative Parents
Hydrocarbon derivatives / Alkyl fluorides
Substituents
Hydrocarbon derivative / Organofluoride / Alkyl halide / Alkyl fluoride / Aliphatic acyclic compound
Molecular Framework
Aliphatic acyclic compounds
External Descriptors
fluorocarbon (CHEBI:31980)

Drug created on June 13, 2005 07:24 / Updated on November 13, 2017 21:49