Rezatomidine

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

Identification

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Name
Rezatomidine
Accession Number
DB12143
Type
Small Molecule
Groups
Investigational
Description

Rezatomidine has been used in trials studying the treatment of Fibromyalgia, Cystitis, Interstitial, Irritable Bowel Syndrome, and Diabetic Neuropathy, Painful.

Structure
Thumb
Synonyms
Not Available
External IDs
Agn 203818
Product Ingredients
IngredientUNIICASInChI Key
Agn 203818 Hydrochloride1C25MR0H0E1021954-16-4FKVKHBODOZRGOP-PPHPATTJSA-N
Categories
Not Available
UNII
W5LMZ0RC8I
CAS number
847829-38-3
Weight
Average: 232.35
Monoisotopic: 232.103419697
Chemical Formula
C13H16N2S
InChI Key
WQXVKEDUCPMRRI-JTQLQIEISA-N
InChI
InChI=1S/C13H16N2S/c1-8-5-4-6-11(9(8)2)10(3)12-7-14-13(16)15-12/h4-7,10H,1-3H3,(H2,14,15,16)/t10-/m0/s1
IUPAC Name
4-[(1S)-1-(2,3-dimethylphenyl)ethyl]-2,3-dihydro-1H-imidazole-2-thione
SMILES
C[C@H](C1=CNC(=S)N1)C1=C(C)C(C)=CC=C1

Pharmacology

Indication
Not Available
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
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

References

General References
Not Available
External Links
PubChem Compound
11287722
PubChem Substance
347828439
ChemSpider
9462709
ChEMBL
CHEMBL2107366

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
2CompletedTreatmentDiabetic Neuropathy, Painful1
2TerminatedTreatmentFibromyalgia1
2TerminatedTreatmentInterstitial Cystitis1
2TerminatedTreatmentIrritable Bowel Syndrome (IBS)1

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 Solubility0.0111 mg/mLALOGPS
logP2.74ALOGPS
logP3.77ChemAxon
logS-4.3ALOGPS
pKa (Strongest Acidic)9.98ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count0ChemAxon
Hydrogen Donor Count2ChemAxon
Polar Surface Area24.06 Å2ChemAxon
Rotatable Bond Count2ChemAxon
Refractivity73.33 m3·mol-1ChemAxon
Polarizability26.53 Å3ChemAxon
Number of Rings2ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
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-MSNot Available
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

Taxonomy

Description
This compound belongs to the class of organic compounds known as o-xylenes. These are aromatic compounds that contain a o-xylene moiety, which is a monocyclic benzene carrying exactly two methyl groups at the 1- and 2-positions.
Kingdom
Organic compounds
Super Class
Benzenoids
Class
Benzene and substituted derivatives
Sub Class
Xylenes
Direct Parent
o-Xylenes
Alternative Parents
Imidazolethiones / Imidazoles / Heteroaromatic compounds / Thioureas / Azacyclic compounds / Organonitrogen compounds / Hydrocarbon derivatives
Substituents
O-xylene / Imidazole-2-thione / Heteroaromatic compound / Imidazole / Azole / Thiourea / Azacycle / Organoheterocyclic compound / Organic nitrogen compound / Hydrocarbon derivative
Molecular Framework
Aromatic heteromonocyclic compounds
External Descriptors
Not Available

Drug created on October 20, 2016 15:27 / Updated on February 06, 2020 13:19