NAV

Iodofiltic acid I-123

This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.

Identification

Generic Name
Iodofiltic acid I-123
DrugBank Accession Number
DB05683
Background

Not Available

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 454.426
Monoisotopic: 454.169303311
Chemical Formula
C22H35IO2
Synonyms
  • I-123 BMIPP
  • Iodofiltic acid (123I)
  • Iodofiltic acid I 123
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Pharmacology

Indication

Investigated for use/treatment in cardiac ischemia.

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Contraindications & Blackbox Warnings
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Pharmacodynamics

Not Available

Mechanism of action
Not Available
Absorption

Not Available

Volume of distribution

Not Available

Protein binding

Not Available

Metabolism
Not Available
Route of elimination

Not Available

Half-life

Not Available

Clearance

Not Available

Adverse Effects
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Toxicity

Not Available

Pathways
Not Available
Pharmacogenomic Effects/ADRs
Not Available

Interactions

Drug Interactions
This information should not be interpreted without the help of a healthcare provider. If you believe you are experiencing an interaction, contact a healthcare provider immediately. The absence of an interaction does not necessarily mean no interactions exist.
Not Available
Food Interactions
Not Available

Products

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International/Other Brands
Zemiva

Categories

Drug Categories
Classification
Not classified
Affected organisms
Not Available

Chemical Identifiers

UNII
0J7USQ749M
CAS number
123748-56-1
InChI Key
NPCIWINHUDIWAV-NSYCNWAXSA-N
InChI
InChI=1S/C22H35IO2/c1-19(18-22(24)25)12-10-8-6-4-2-3-5-7-9-11-13-20-14-16-21(23)17-15-20/h14-17,19H,2-13,18H2,1H3,(H,24,25)/i23-4
IUPAC Name
15-[4-(¹²³I)iodophenyl]-3-methylpentadecanoic acid
SMILES
CC(CCCCCCCCCCCCC1=CC=C([123I])C=C1)CC(O)=O

References

General References
Not Available
KEGG Drug
D06608
KEGG Compound
C13426
ChemSpider
552204
ChEBI
31683
ChEMBL
CHEMBL3989901

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
2CompletedTreatmentAcute Coronary Syndrome (ACS)1

Pharmacoeconomics

Manufacturers
Not Available
Packagers
Not Available
Dosage Forms
Not Available
Prices
Not Available
Patents
Not Available

Properties

State
Solid
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
Water Solubility6.82e-06 mg/mLALOGPS
logP7.3ALOGPS
logP8.61Chemaxon
logS-7.8ALOGPS
pKa (Strongest Acidic)5Chemaxon
Physiological Charge-1Chemaxon
Hydrogen Acceptor Count2Chemaxon
Hydrogen Donor Count1Chemaxon
Polar Surface Area37.3 Å2Chemaxon
Rotatable Bond Count15Chemaxon
Refractivity115.09 m3·mol-1Chemaxon
Polarizability48.76 Å3Chemaxon
Number of Rings1Chemaxon
Bioavailability0Chemaxon
Rule of FiveNoChemaxon
Ghose FilterNoChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleNoChemaxon
Predicted ADMET Features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-0a4r-0010900000-cce01b83b75c0efc6914
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-0002-2209700000-60533b0afcc3bb4daa56
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-004i-0900300000-2fd62397a5e0a262baea
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-004i-1900000000-d9bfe67769c96c287ae2
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-00di-3617900000-f8382c3e239714eedcec
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-00l5-9651000000-995a07a2ec57def33ba8
Predicted 1H NMR Spectrum1D NMRNot Applicable
Predicted 13C NMR Spectrum1D NMRNot Applicable
Chromatographic Properties
Collision Cross Sections (CCS)
Not Available

Drug created at November 18, 2007 18:26 / Updated at June 12, 2020 17:41