Iofetamine I-123

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

Identification

Generic Name
Iofetamine I-123
DrugBank Accession Number
DB09480
Background

Not Available

Type
Small Molecule
Groups
Approved
Structure
Weight
Average: 299.189
Monoisotopic: 299.049522528
Chemical Formula
C12H18IN
Synonyms
  • Iodine iofetamine (123I)
  • Iofetamine (123 I)
  • Iofetamine (123I)
  • Iofetamine I 123
  • Iofetamine, I-123

Pharmacology

Indication

Not Available

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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.
DrugInteraction
AcebutololThe therapeutic efficacy of Acebutolol can be decreased when used in combination with Iofetamine I-123.
AceclofenacThe risk or severity of hypertension can be increased when Aceclofenac is combined with Iofetamine I-123.
AcemetacinThe risk or severity of hypertension can be increased when Iofetamine I-123 is combined with Acemetacin.
AcetazolamideAcetazolamide may decrease the excretion rate of Iofetamine I-123 which could result in a higher serum level.
AcetophenazineAcetophenazine may decrease the stimulatory activities of Iofetamine I-123.
Food Interactions
Not Available

Products

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Product Ingredients
IngredientUNIICASInChI Key
Iofetamine hydrochloride I-123R5O1XB5L3M85068-76-4AFLDFEASYWNJGX-FOHXBPHZSA-N

Categories

ATC Codes
V09AB01 — Iodine iofetamine (123i)
Drug Categories
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as amphetamines and derivatives. These are organic compounds containing or derived from 1-phenylpropan-2-amine.
Kingdom
Organic compounds
Super Class
Benzenoids
Class
Benzene and substituted derivatives
Sub Class
Phenethylamines
Direct Parent
Amphetamines and derivatives
Alternative Parents
Phenylpropanes / Iodobenzenes / Aralkylamines / Aryl iodides / Dialkylamines / Organopnictogen compounds / Organoiodides / Hydrocarbon derivatives
Substituents
Amine / Amphetamine or derivatives / Aralkylamine / Aromatic homomonocyclic compound / Aryl halide / Aryl iodide / Halobenzene / Hydrocarbon derivative / Iodobenzene / Organic nitrogen compound
Molecular Framework
Aromatic homomonocyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
LV23B78IJC
CAS number
75917-92-9
InChI Key
ISEHJSHTIVKELA-DCWJVSPSSA-N
InChI
InChI=1S/C12H18IN/c1-9(2)14-10(3)8-11-4-6-12(13)7-5-11/h4-7,9-10,14H,8H2,1-3H3/i13-4
IUPAC Name
{1-[4-(¹²³I)iodophenyl]propan-2-yl}(propan-2-yl)amine
SMILES
CC(C)NC(C)CC1=CC=C([123I])C=C1

References

General References
Not Available
ChemSpider
137706
ChEBI
31708

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount

Pharmacoeconomics

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

Properties

State
Not Available
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
Water Solubility0.00511 mg/mLALOGPS
logP3.58ALOGPS
logP3.94Chemaxon
logS-4.8ALOGPS
pKa (Strongest Basic)10.35Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count1Chemaxon
Hydrogen Donor Count1Chemaxon
Polar Surface Area12.03 Å2Chemaxon
Rotatable Bond Count4Chemaxon
Refractivity71.01 m3·mol-1Chemaxon
Polarizability27.78 Å3Chemaxon
Number of Rings1Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterYesChemaxon
Veber's RuleYesChemaxon
MDDR-like RuleNoChemaxon
Predicted ADMET Features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
Predicted GC-MS Spectrum - GC-MSPredicted GC-MSsplash10-000f-9170000000-55a55501ee63688c2f15
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-0udu-8098000000-989e6595c4f96f4e0c1d
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-0f6x-0296000000-b795d8787ce3b0da4a07
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-00kf-9040000000-965bcb6a36fc91c5e9bb
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-004i-0900000000-8a3cc8698f94470fe22b
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-014l-9370000000-ed541c48eed44eb32e3e
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-004i-0900000000-87e16e8a453ce510d903
Predicted 1H NMR Spectrum1D NMRNot Applicable
Predicted 13C NMR Spectrum1D NMRNot Applicable
Chromatographic Properties
Collision Cross Sections (CCS)
AdductCCS Value (Å2)Source typeSource
[M-H]-155.39853
predicted
DeepCCS 1.0 (2019)
[M+H]+157.75653
predicted
DeepCCS 1.0 (2019)
[M+Na]+163.84967
predicted
DeepCCS 1.0 (2019)

Drug created at November 30, 2015 19:10 / Updated at June 12, 2020 16:52