Rezatomidine
Star0
This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Generic Name
- Rezatomidine
- DrugBank Accession Number
- DB12143
- Background
Rezatomidine has been used in trials studying the treatment of Fibromyalgia, Cystitis, Interstitial, Irritable Bowel Syndrome, and Diabetic Neuropathy, Painful.
- Type
- Small Molecule
- Groups
- Investigational
- Structure
- Weight
- Average: 232.35
Monoisotopic: 232.103419697 - Chemical Formula
- C13H16N2S
- Synonyms
- Rezatomidine
- External IDs
- Agn 203818
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
Products
- Drug product information from 10+ global regionsOur datasets provide approved product information including:dosage, form, labeller, route of administration, and marketing period.Access drug product information from over 10 global regions.
- Product Ingredients
Ingredient UNII CAS InChI Key Agn 203818 Hydrochloride 1C25MR0H0E 1021954-16-4 FKVKHBODOZRGOP-PPHPATTJSA-N
Categories
- Drug Categories
- Not Available
- Chemical TaxonomyProvided by Classyfire
- 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
- Aromatic heteromonocyclic compound / Azacycle / Azole / Heteroaromatic compound / Hydrocarbon derivative / Imidazole / Imidazole-2-thione / O-xylene / Organic nitrogen compound / Organoheterocyclic compound
- Molecular Framework
- Aromatic heteromonocyclic compounds
- External Descriptors
- Not Available
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- W5LMZ0RC8I
- CAS number
- 847829-38-3
- 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
References
- General References
- Not Available
- External Links
- PubChem Compound
- 11287722
- PubChem Substance
- 347828439
- ChemSpider
- 9462709
- ChEMBL
- CHEMBL2107366
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 2 Completed Treatment Painful Diabetic Neuropathy (PDN) 1 2 Terminated Treatment Fibromyalgia 1 2 Terminated Treatment Interstitial Cystitis 1 2 Terminated Treatment Irritable 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
Property Value Source Water Solubility 0.0111 mg/mL ALOGPS logP 2.74 ALOGPS logP 3.77 Chemaxon logS -4.3 ALOGPS pKa (Strongest Acidic) 9.98 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 0 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 24.06 Å2 Chemaxon Rotatable Bond Count 2 Chemaxon Refractivity 73.33 m3·mol-1 Chemaxon Polarizability 26.53 Å3 Chemaxon Number of Rings 2 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule Yes 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 splash10-00lr-2950000000-0a65d7c66ffe83ce57c1 Predicted MS/MS Spectrum - 10V, Positive (Annotated) Predicted LC-MS/MS splash10-001i-0940000000-a9635f5b645cbced5bdb Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS splash10-001i-1930000000-4197dfac03c27c8449b0 Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS splash10-003r-1950000000-d7b0ae8b413f59928e99 Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS splash10-0a4i-9800000000-922f7a07642b74aa0d27 Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS splash10-0a4i-9310000000-1155faaf7aa95a421b9c Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS splash10-067l-2900000000-172db8a63cf7714a7dc7 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]- 162.5770555 predictedDarkChem Lite v0.1.0 [M-H]- 156.25731 predictedDeepCCS 1.0 (2019) [M+H]+ 163.8602555 predictedDarkChem Lite v0.1.0 [M+H]+ 158.61531 predictedDeepCCS 1.0 (2019) [M+Na]+ 163.0477555 predictedDarkChem Lite v0.1.0 [M+Na]+ 164.70845 predictedDeepCCS 1.0 (2019)
Drug created at October 20, 2016 21:27 / Updated at February 21, 2021 18:53