Methiodal
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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
- Improve decision support & research outcomesWith structured adverse effects data, including: blackbox warnings, adverse reactions, warning & precautions, & incidence rates. View sample adverse effects data in our new Data Library!Improve decision support & research outcomes with our structured adverse effects data.
- 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
- External Links
- ChemSpider
- 29079
- ChEBI
- 134912
- ChEMBL
- CHEMBL2110978
- ZINC
- ZINC000008214608
- Wikipedia
- Methiodal
Clinical Trials
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
Property Value Source Water Solubility 9.39 mg/mL ALOGPS logP -1.5 ALOGPS logP 0.22 Chemaxon logS -1.4 ALOGPS pKa (Strongest Acidic) -1.8 Chemaxon Physiological Charge -1 Chemaxon Hydrogen Acceptor Count 3 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 54.37 Å2 Chemaxon Rotatable Bond Count 1 Chemaxon Refractivity 29.33 m3·mol-1 Chemaxon Polarizability 12.5 Å3 Chemaxon Number of Rings 0 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon - Predicted ADMET Features
- Not Available
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
Spectrum Spectrum Type Splash Key Predicted GC-MS Spectrum - GC-MS Predicted GC-MS splash10-0006-9420000000-1685edaad77573e33919 Predicted MS/MS Spectrum - 10V, Positive (Annotated) Predicted LC-MS/MS splash10-00di-0090000000-01d40c286421ebc095c6 Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS splash10-00di-0090000000-5f6194594f01f9b2809b Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS splash10-00di-0090000000-30f611af95533decbf0f Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS splash10-00di-0090000000-4090759f0fa6f56674c6 Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS splash10-00di-0090000000-852c8eb13589f82191f7 Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS splash10-001i-9010000000-ff5347bfe6d9e37fbaaa Predicted 1H NMR Spectrum 1D NMR Not Applicable Predicted 13C NMR Spectrum 1D NMR Not Applicable - Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 127.074486 predictedDeepCCS 1.0 (2019) [M+H]+ 129.44093 predictedDeepCCS 1.0 (2019) [M+Na]+ 137.89998 predictedDeepCCS 1.0 (2019)
Drug created at June 23, 2017 20:39 / Updated at June 12, 2020 16:53