Odiparcil

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

Identification

Name
Odiparcil
Accession Number
DB06609
Description
Not Available
Type
Small Molecule
Groups
Investigational
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Structure
Thumb
Weight
Average: 324.35
Monoisotopic: 324.066759409
Chemical Formula
C15H16O6S
Synonyms
Not Available
External IDs
  • 424323

Pharmacology

Indication

Investigated for use/treatment in atrial fibrillation, cardiovascular disorders, thrombosis, and venous thromboembolism.

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
Affected organisms
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

Drug Categories
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as coumarins and derivatives. These are polycyclic aromatic compounds containing a 1-benzopyran moiety with a ketone group at the C2 carbon atom (1-benzopyran-2-one).
Kingdom
Organic compounds
Super Class
Phenylpropanoids and polyketides
Class
Coumarins and derivatives
Sub Class
Not Available
Direct Parent
Coumarins and derivatives
Alternative Parents
1-benzopyrans / Pyranones and derivatives / Thianes / Benzenoids / Monothioacetals / Heteroaromatic compounds / Secondary alcohols / Lactones / Polyols / Oxacyclic compounds
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Substituents
1-benzopyran / Alcohol / Aromatic heteropolycyclic compound / Benzenoid / Benzopyran / Coumarin / Heteroaromatic compound / Hydrocarbon derivative / Lactone / Monothioacetal
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Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
Not Available

Chemical Identifiers

UNII
FIK1414ZI8
CAS number
137215-12-4
InChI Key
JRHNIQQUVJOPQC-AQNFWKISSA-N
InChI
InChI=1S/C15H16O6S/c1-7-4-12(17)21-11-5-8(2-3-9(7)11)20-15-14(19)13(18)10(16)6-22-15/h2-5,10,13-16,18-19H,6H2,1H3/t10-,13+,14-,15-/m1/s1
IUPAC Name
4-methyl-7-{[(2R,3R,4S,5S)-3,4,5-trihydroxythian-2-yl]oxy}-2H-chromen-2-one
SMILES
[H][[email protected]@]1(O)CS[[email protected]@]([H])(OC2=CC3=C(C=C2)C(C)=CC(=O)O3)[[email protected]]([H])(O)[[email protected]@]1([H])O

References

General References
Not Available
ChemSpider
187565
ChEMBL
CHEMBL2107763
ZINC
ZINC000031597280

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
2CompletedPreventionArthroplasty1
2CompletedPreventionAtrial Fibrillation (AF) / Deep Vein Thrombosis / Pulmonary Embolism / Venous Thromboembolism1
2CompletedTreatmentMucopolysaccharidosis VI1
1TerminatedTreatmentAtrial Fibrillation (AF)1

Pharmacoeconomics

Manufacturers
Not Available
Packagers
Not Available
Dosage Forms
Not Available
Prices
Not Available
Patents
Not Available

Properties

State
Solid
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
Water Solubility1.82 mg/mLALOGPS
logP0.89ALOGPS
logP0.59ChemAxon
logS-2.2ALOGPS
pKa (Strongest Acidic)12.6ChemAxon
pKa (Strongest Basic)-3.3ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count5ChemAxon
Hydrogen Donor Count3ChemAxon
Polar Surface Area96.22 Å2ChemAxon
Rotatable Bond Count2ChemAxon
Refractivity80.32 m3·mol-1ChemAxon
Polarizability32.06 Å3ChemAxon
Number of Rings3ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted ADMET Features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSNot Available

Drug created on March 19, 2008 10:40 / Updated on June 12, 2020 10:52

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