NAV

Iocetamic acid

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

Identification

Generic Name
Iocetamic acid
DrugBank Accession Number
DB09403
Background

Iocetamic acid is a diagnostic aid (radiopaque medium)

Type
Small Molecule
Groups
Approved
Structure
3D
Similar Structures
Weight
Average: 613.96
Monoisotopic: 613.80603
Chemical Formula
C12H13I3N2O3
Synonyms
  • Acido iocetamico
  • Acidum iocetamicum
  • Iocetamic acid
External IDs
  • DRC 1201
  • MP 620
  • MP-620
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Pharmacology

Indication

Not Available

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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
Cholebrine

Categories

ATC Codes
V08AC07 — Iocetamic acid
Drug Categories
Classification
Not classified
Affected organisms
Not Available

Chemical Identifiers

UNII
FA675Q0E3E
CAS number
16034-77-8
InChI Key
GSVQIUGOUKJHRC-UHFFFAOYSA-N
InChI
InChI=1S/C12H13I3N2O3/c1-5(12(19)20)4-17(6(2)18)11-8(14)3-7(13)10(16)9(11)15/h3,5H,4,16H2,1-2H3,(H,19,20)
IUPAC Name
3-[N-(3-amino-2,4,6-triiodophenyl)acetamido]-2-methylpropanoic acid
SMILES
CC(CN(C(C)=O)C1=C(I)C=C(I)C(N)=C1I)C(O)=O

References

General References
Not Available
ChemSpider
25724
RxNav
183830
ChEBI
91662
ChEMBL
CHEMBL1200770
Wikipedia
Iocetamic_acid

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount

Pharmacoeconomics

Manufacturers
Not Available
Packagers
Not Available
Dosage Forms
FormRouteStrength
TabletOral750 mg
Prices
Not Available
Patents
Not Available

Properties

State
Not Available
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
Water Solubility0.0537 mg/mLALOGPS
logP3.15ALOGPS
logP2.99Chemaxon
logS-4.1ALOGPS
pKa (Strongest Acidic)2.74Chemaxon
pKa (Strongest Basic)1.58Chemaxon
Physiological Charge-1Chemaxon
Hydrogen Acceptor Count4Chemaxon
Hydrogen Donor Count2Chemaxon
Polar Surface Area83.63 Å2Chemaxon
Rotatable Bond Count4Chemaxon
Refractivity104.18 m3·mol-1Chemaxon
Polarizability39.94 Å3Chemaxon
Number of Rings1Chemaxon
Bioavailability1Chemaxon
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, Positive (Annotated)Predicted LC-MS/MSsplash10-00b9-0000091000-6ad91946a7074c5b85dc
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-004m-0000290000-497b6bdd82e0a31d3cf5
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-002f-0000091000-4f848dc57544edb0f26d
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-004i-0000190000-d56da2a99edc469862ec
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-002g-6000691000-e3b5667295eb79e8ecdf
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-03di-0010090000-3a565cd0826a9fef6bb8
Chromatographic Properties
Collision Cross Sections (CCS)
AdductCCS Value (Å2)Source typeSource
[M-H]-196.3577
predicted
DeepCCS 1.0 (2019)
[M+H]+198.7157
predicted
DeepCCS 1.0 (2019)
[M+Na]+204.80884
predicted
DeepCCS 1.0 (2019)

Drug created at November 30, 2015 19:10 / Updated at February 21, 2021 18:52