Iodohippurate sodium I-123

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

Identification

Generic Name
Iodohippurate sodium I-123
DrugBank Accession Number
DB09448
Background

Not Available

Type
Small Molecule
Groups
Approved
Structure
Weight
Average: 323.054
Monoisotopic: 322.93796031
Chemical Formula
C9H7INNaO3
Synonyms
  • Sodium iodohippurate (123 I)
  • sodium iodohippurate (123I)

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.
Not Available
Food Interactions
Not Available

Categories

ATC Codes
V09CX01 — Sodium iodohippurate (123i)
Drug Categories
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as hippuric acids. These are compounds containing hippuric acid, which consists of a of a benzoyl group linked to the N-terminal of a glycine.
Kingdom
Organic compounds
Super Class
Benzenoids
Class
Benzene and substituted derivatives
Sub Class
Benzoic acids and derivatives
Direct Parent
Hippuric acids
Alternative Parents
N-acyl-alpha amino acids / 2-halobenzoic acids and derivatives / Benzoyl derivatives / Iodobenzenes / Aryl iodides / Vinylogous halides / Secondary carboxylic acid amides / Carboxylic acid salts / Organic metal halides / Monocarboxylic acids and derivatives
show 9 more
Substituents
2-halobenzoic acid or derivatives / Alpha-amino acid or derivatives / Aromatic homomonocyclic compound / Aryl halide / Aryl iodide / Benzoyl / Carbonyl group / Carboxamide group / Carboxylic acid / Carboxylic acid derivative
show 24 more
Molecular Framework
Aromatic homomonocyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
4NW20GFQ7H
CAS number
56254-07-0
InChI Key
XYITYKDGJLHYPW-TWDNZPFZSA-M
InChI
InChI=1S/C9H8INO3.Na/c10-7-4-2-1-3-6(7)9(14)11-5-8(12)13;/h1-4H,5H2,(H,11,14)(H,12,13);/q;+1/p-1/i10-4;
IUPAC Name
sodium 2-{[2-(¹²³I)iodophenyl]formamido}acetate
SMILES
[Na+].[O-]C(=O)CNC(=O)C1=CC=CC=C1[123I]

References

General References
Not Available
ChemSpider
58825
RxNav
91551
ChEMBL
CHEMBL1200439

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 Solubility0.324 mg/mLALOGPS
logP1.51ALOGPS
logP1.45Chemaxon
logS-3ALOGPS
pKa (Strongest Acidic)2.65Chemaxon
pKa (Strongest Basic)-1.7Chemaxon
Physiological Charge-1Chemaxon
Hydrogen Acceptor Count3Chemaxon
Hydrogen Donor Count1Chemaxon
Polar Surface Area69.23 Å2Chemaxon
Rotatable Bond Count3Chemaxon
Refractivity70.32 m3·mol-1Chemaxon
Polarizability22.44 Å3Chemaxon
Number of Rings1Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterYesChemaxon
Veber's RuleNoChemaxon
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-MSsplash10-0f89-1090000000-d2f22b760da9631fc9d1
Chromatographic Properties
Collision Cross Sections (CCS)
AdductCCS Value (Å2)Source typeSource
[M-H]-144.84494
predicted
DeepCCS 1.0 (2019)
[M+H]+147.24051
predicted
DeepCCS 1.0 (2019)
[M+Na]+153.4774
predicted
DeepCCS 1.0 (2019)

Drug created at November 30, 2015 19:10 / Updated at January 03, 2021 16:40