NAV

Chiniofon

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

Identification

Generic Name
Chiniofon
DrugBank Accession Number
DB13379
Background

Not Available

Type
Small Molecule
Groups
Experimental
Structure
Similar Structures
Weight
Average: 435.12
Monoisotopic: 434.88856
Chemical Formula
C10H7INNaO7S
Synonyms
  • Chiniofon
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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
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Not Available

Interactions

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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
P01AX01 — Chiniofon
Drug Categories
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as hydroxyquinolines. These are compounds containing a quinoline moiety bearing a hydroxyl group.
Kingdom
Organic compounds
Super Class
Organoheterocyclic compounds
Class
Quinolines and derivatives
Sub Class
Hydroxyquinolines
Direct Parent
Hydroxyquinolines
Alternative Parents
8-hydroxyquinolines / Haloquinolines / 1-sulfo,2-unsubstituted aromatic compounds / O-iodophenols / Pyridines and derivatives / Aryl iodides / Sulfonyls / Organosulfonic acids / Heteroaromatic compounds / Carbonate salts
show 10 more
Substituents
1-sulfo,2-unsubstituted aromatic compound / 2-iodophenol / 8-hydroxyquinoline / Aromatic heteropolycyclic compound / Aryl halide / Aryl iodide / Arylsulfonic acid or derivatives / Azacycle / Benzenoid / Carbonate salt
show 25 more
Molecular Framework
Not Available
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
98F8Y85B6W
CAS number
8002-90-2
InChI Key
FNXKBSAUKFCXIK-UHFFFAOYSA-M
InChI
InChI=1S/C9H6INO4S.CH2O3.Na/c10-6-4-7(16(13,14)15)5-2-1-3-11-8(5)9(6)12;2-1(3)4;/h1-4,12H,(H,13,14,15);(H2,2,3,4);/q;;+1/p-1
IUPAC Name
sodium 8-hydroxy-7-iodoquinoline-5-sulfonic acid hydrogen carbonate
SMILES
[Na+].OC([O-])=O.OC1=C(I)C=C(C2=CC=CN=C12)S(O)(=O)=O

References

General References
Not Available
ChemSpider
10574
ChEMBL
CHEMBL2104146
Wikipedia
Chiniofon

Clinical Trials

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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 Solubility0.496 mg/mLALOGPS
logP-0.08ALOGPS
logP-0.58Chemaxon
logS-2.8ALOGPS
pKa (Strongest Acidic)-4.4Chemaxon
pKa (Strongest Basic)2.82Chemaxon
Physiological Charge-1Chemaxon
Hydrogen Acceptor Count5Chemaxon
Hydrogen Donor Count2Chemaxon
Polar Surface Area87.49 Å2Chemaxon
Rotatable Bond Count1Chemaxon
Refractivity65.95 m3·mol-1Chemaxon
Polarizability25.8 Å3Chemaxon
Number of Rings2Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterNoChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleNoChemaxon
Predicted ADMET Features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
Not Available
Chromatographic Properties
Collision Cross Sections (CCS)
AdductCCS Value (Å2)Source typeSource
[M-H]-164.51546
predicted
DeepCCS 1.0 (2019)
[M+H]+166.87344
predicted
DeepCCS 1.0 (2019)
[M+Na]+172.9666
predicted
DeepCCS 1.0 (2019)

Drug created at June 23, 2017 20:40 / Updated at February 21, 2021 18:54