NAV

Domiodol

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

Identification

Generic Name
Domiodol
DrugBank Accession Number
DB13768
Background

Not Available

Type
Small Molecule
Groups
Experimental
Structure
3D
Similar Structures
Weight
Average: 244.028
Monoisotopic: 243.95964
Chemical Formula
C5H9IO3
Synonyms
  • Domiodol
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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
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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Categories

ATC Codes
R05CB08 — Domiodol
Drug Categories
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as 1,3-dioxolanes. These are organic compounds containing 1,3-dioxolane, an aliphatic five-member ring with two oxygen atoms in ring positions 1 and 3.
Kingdom
Organic compounds
Super Class
Organoheterocyclic compounds
Class
Dioxolanes
Sub Class
1,3-dioxolanes
Direct Parent
1,3-dioxolanes
Alternative Parents
Oxacyclic compounds / Acetals / Primary alcohols / Organoiodides / Hydrocarbon derivatives / Alkyl iodides
Substituents
Acetal / Alcohol / Aliphatic heteromonocyclic compound / Alkyl halide / Alkyl iodide / Hydrocarbon derivative / Meta-dioxolane / Organic oxygen compound / Organohalogen compound / Organoiodide
Molecular Framework
Aliphatic heteromonocyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
C1PXF8V06N
CAS number
61869-07-6
InChI Key
NEIPZWZQHXCYDV-UHFFFAOYSA-N
InChI
InChI=1S/C5H9IO3/c6-1-5-8-3-4(2-7)9-5/h4-5,7H,1-3H2
IUPAC Name
[2-(iodomethyl)-1,3-dioxolan-4-yl]methanol
SMILES
OCC1COC(CI)O1

References

General References
Not Available
ChemSpider
39887
ChEBI
134992
ChEMBL
CHEMBL2106471
Wikipedia
Domiodol

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount

Pharmacoeconomics

Manufacturers
Not Available
Packagers
Not Available
Dosage Forms
FormRouteStrength
Granule60 MG
Syrup0.7 %
Prices
Not Available
Patents
Not Available

Properties

State
Not Available
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
Water Solubility17.3 mg/mLALOGPS
logP0.43ALOGPS
logP0.5Chemaxon
logS-1.2ALOGPS
pKa (Strongest Acidic)14.6Chemaxon
pKa (Strongest Basic)-3Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count3Chemaxon
Hydrogen Donor Count1Chemaxon
Polar Surface Area38.69 Å2Chemaxon
Rotatable Bond Count2Chemaxon
Refractivity40.63 m3·mol-1Chemaxon
Polarizability16.88 Å3Chemaxon
Number of Rings1Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterNoChemaxon
Veber's RuleYesChemaxon
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-MSsplash10-05i3-9210000000-cf82bd135aec8ede15a0
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-056r-9250000000-e5c72c7cb2b97bd7492c
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-002r-9410000000-8e8f29f8aa0e69dce88d
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-052f-9110000000-8596bc267750687fdf40
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-004r-3900000000-85dd98964cb79c659f61
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-0zfu-9600000000-1413595b95be5f324667
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-004i-3900000000-2bc7b9033f0ccf7d021b
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]-143.41124
predicted
DeepCCS 1.0 (2019)
[M+H]+146.03073
predicted
DeepCCS 1.0 (2019)
[M+Na]+155.1764
predicted
DeepCCS 1.0 (2019)

Drug created at June 23, 2017 20:48 / Updated at February 21, 2021 18:54