Methiodal

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

Identification

Generic Name
Methiodal
DrugBank Accession Number
DB13321
Background

Not Available

Type
Small Molecule
Groups
Experimental
Structure
Weight
Average: 222.0
Monoisotopic: 221.88476
Chemical Formula
CH3IO3S
Synonyms
Not Available

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
V08AA09 — Methiodal
Drug Categories
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as organosulfonic acids. These are compounds containing the sulfonic acid group, which has the general structure RS(=O)2OH (R is not a hydrogen atom).
Kingdom
Organic compounds
Super Class
Organic acids and derivatives
Class
Organic sulfonic acids and derivatives
Sub Class
Organosulfonic acids and derivatives
Direct Parent
Organosulfonic acids
Alternative Parents
Sulfonyls / Alkanesulfonic acids / Organoiodides / Organic oxides / Hydrocarbon derivatives / Alkyl iodides
Substituents
Aliphatic acyclic compound / Alkanesulfonic acid / Alkyl halide / Alkyl iodide / Hydrocarbon derivative / Organic oxide / Organic oxygen compound / Organohalogen compound / Organoiodide / Organosulfonic acid
Molecular Framework
Aliphatic acyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
H20847G0I0
CAS number
143-47-5
InChI Key
RDFJFVXMRYVOAC-UHFFFAOYSA-N
InChI
InChI=1S/CH3IO3S/c2-1-6(3,4)5/h1H2,(H,3,4,5)
IUPAC Name
iodomethanesulfonic acid
SMILES
OS(=O)(=O)CI

References

General References
Not Available
ChemSpider
29079
ChEBI
134912
ChEMBL
CHEMBL2110978
ZINC
ZINC000008214608
Wikipedia
Methiodal

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 Solubility9.39 mg/mLALOGPS
logP-1.5ALOGPS
logP0.22Chemaxon
logS-1.4ALOGPS
pKa (Strongest Acidic)-1.8Chemaxon
Physiological Charge-1Chemaxon
Hydrogen Acceptor Count3Chemaxon
Hydrogen Donor Count1Chemaxon
Polar Surface Area54.37 Å2Chemaxon
Rotatable Bond Count1Chemaxon
Refractivity29.33 m3·mol-1Chemaxon
Polarizability12.5 Å3Chemaxon
Number of Rings0Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterNoChemaxon
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-MSsplash10-0006-9420000000-1685edaad77573e33919
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-00di-0090000000-01d40c286421ebc095c6
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-00di-0090000000-5f6194594f01f9b2809b
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-00di-0090000000-30f611af95533decbf0f
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-00di-0090000000-4090759f0fa6f56674c6
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-00di-0090000000-852c8eb13589f82191f7
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-001i-9010000000-ff5347bfe6d9e37fbaaa
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]-127.074486
predicted
DeepCCS 1.0 (2019)
[M+H]+129.44093
predicted
DeepCCS 1.0 (2019)
[M+Na]+137.89998
predicted
DeepCCS 1.0 (2019)

Drug created at June 23, 2017 20:39 / Updated at June 12, 2020 16:53