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

Identification

Generic Name
Rose bengal I-131
DrugBank Accession Number
DB09388
Background

Not Available

Type
Small Molecule
Groups
Approved
Structure
Weight
Average: 989.67
Monoisotopic: 987.5057807
Chemical Formula
C20H4Cl4I4O5
Synonyms
  • Robenogatope I-131

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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Product Ingredients
IngredientUNIICASInChI Key
Rose bengal sodium I-13124I7KUI7MK24359-63-5UWBXIFCTIZXXLS-SZIYIJPFSA-L

Categories

Drug Categories
Classification
Not classified
Affected organisms
Not Available

Chemical Identifiers

UNII
MKF129JIZX
CAS number
99689-97-1
InChI Key
VDNLFJGJEQUWRB-CJXAGYTBSA-N
InChI
InChI=1S/C20H4Cl4I4O5/c21-10-8(9(20(31)32)11(22)13(24)12(10)23)7-3-1-5(25)16(29)14(27)18(3)33-19-4(7)2-6(26)17(30)15(19)28/h1-2,29H,(H,31,32)/i25+4,26+4,27+4,28+4
IUPAC Name
2,3,4,5-tetrachloro-6-[6-hydroxy-2,4,5,7-tetra(¹³¹I)iodo-3-oxo-3H-xanthen-9-yl]benzoic acid
SMILES
OC(=O)C1=C(C(Cl)=C(Cl)C(Cl)=C1Cl)C1=C2C=C([131I])C(=O)C([131I])=C2OC2=C([131I])C(O)=C([131I])C=C12

References

General References
Not Available
ChemSpider
29519
ZINC
ZINC000150340107

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 Solubility0.000681 mg/mLALOGPS
logP6.02ALOGPS
logP9.26Chemaxon
logS-6.2ALOGPS
pKa (Strongest Acidic)2.38Chemaxon
pKa (Strongest Basic)-2.1Chemaxon
Physiological Charge-2Chemaxon
Hydrogen Acceptor Count5Chemaxon
Hydrogen Donor Count2Chemaxon
Polar Surface Area83.83 Å2Chemaxon
Rotatable Bond Count1Chemaxon
Refractivity176.05 m3·mol-1Chemaxon
Polarizability63.84 Å3Chemaxon
Number of Rings4Chemaxon
Bioavailability0Chemaxon
Rule of FiveNoChemaxon
Ghose FilterNoChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleNoChemaxon
Predicted ADMET Features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
Not Available

Drug created at November 30, 2015 19:10 / Updated at May 10, 2021 12:42