Zuretinol acetate
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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
- Zuretinol acetate
- DrugBank Accession Number
- DB12112
- Background
Zuretinol acetate has been used in trials studying the treatment of Impaired Dark Adaptation, RP (Retinitis Pigmentosa), Retinitis Pigmentosa (RP), and LCA (Leber Congenital Amaurosis).
- Type
- Small Molecule
- Groups
- Investigational
- Structure
- Weight
- Average: 328.4883
Monoisotopic: 328.240230268 - Chemical Formula
- C22H32O2
- Synonyms
- Zuretinol acetate
- External IDs
- QLT-091001
- QLT091001
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.
Drug Interaction Integrate drug-drug
interactions in your softwareCyproterone acetate The therapeutic efficacy of Cyproterone acetate can be decreased when used in combination with Zuretinol acetate. Demeclocycline The risk or severity of pseudotumor cerebri can be increased when Zuretinol acetate is combined with Demeclocycline. Desogestrel The therapeutic efficacy of Desogestrel can be decreased when used in combination with Zuretinol acetate. Dienogest The therapeutic efficacy of Dienogest can be decreased when used in combination with Zuretinol acetate. Diethylstilbestrol The therapeutic efficacy of Diethylstilbestrol can be decreased when used in combination with Zuretinol acetate. - Food Interactions
- Not Available
Categories
- Drug Categories
- Adjuvants, Immunologic
- Alkenes
- Anticarcinogenic Agents
- Biological Factors
- Carotenoids
- Compounds used in a research, industrial, or household setting
- Cyclohexanes
- Cyclohexenes
- Cycloparaffins
- Esters
- Hydrocarbons, Acyclic
- Immunologic Factors
- Pigments, Biological
- Polyenes
- Protective Agents
- Retinoids
- Terpenes
- Chemical TaxonomyProvided by Classyfire
- Description
- This compound belongs to the class of organic compounds known as retinoids. These are oxygenated derivatives of 3,7-dimethyl-1-(2,6,6-trimethylcyclohex-1-enyl)nona-1,3,5,7-tetraene and derivatives thereof.
- Kingdom
- Organic compounds
- Super Class
- Lipids and lipid-like molecules
- Class
- Prenol lipids
- Sub Class
- Retinoids
- Direct Parent
- Retinoids
- Alternative Parents
- Diterpenoids / Fatty alcohol esters / Carboxylic acid esters / Monocarboxylic acids and derivatives / Organic oxides / Hydrocarbon derivatives / Carbonyl compounds
- Substituents
- Aliphatic homomonocyclic compound / Carbonyl group / Carboxylic acid derivative / Carboxylic acid ester / Diterpenoid / Fatty alcohol ester / Hydrocarbon derivative / Monocarboxylic acid or derivatives / Organic oxide / Organic oxygen compound
- Molecular Framework
- Aliphatic homomonocyclic compounds
- External Descriptors
- Not Available
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- 2K3YP54BYU
- CAS number
- 29584-22-3
- InChI Key
- QGNJRVVDBSJHIZ-AQDFTDIISA-N
- InChI
- InChI=1S/C22H32O2/c1-17(9-7-10-18(2)14-16-24-20(4)23)12-13-21-19(3)11-8-15-22(21,5)6/h7,9-10,12-14H,8,11,15-16H2,1-6H3/b10-7+,13-12+,17-9-,18-14+
- IUPAC Name
- (2E,4E,6Z,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohex-1-en-1-yl)nona-2,4,6,8-tetraen-1-yl acetate
- SMILES
- CC(=O)OC\C=C(/C)\C=C\C=C(\C)/C=C/C1=C(C)CCCC1(C)C
References
- General References
- Not Available
- External Links
- Human Metabolome Database
- HMDB0035185
- PubChem Compound
- 10245972
- PubChem Substance
- 347828413
- ChemSpider
- 8421459
- ZINC
- ZINC000014685555
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 2 Completed Treatment Impaired adaptation to dark 1 1 Completed Not Available Human Healthy Volunteers 1 1 Completed Treatment Leber Congenital Amaurosis (LCA) / Retinitis Pigmentosa (RP) 2 1 Completed Treatment Retinitis Pigmentosa (RP) 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 0.00238 mg/mL ALOGPS logP 6.56 ALOGPS logP 5.14 Chemaxon logS -5.1 ALOGPS pKa (Strongest Basic) -7 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 1 Chemaxon Hydrogen Donor Count 0 Chemaxon Polar Surface Area 26.3 Å2 Chemaxon Rotatable Bond Count 7 Chemaxon Refractivity 107.07 m3·mol-1 Chemaxon Polarizability 40.5 Å3 Chemaxon Number of Rings 1 Chemaxon Bioavailability 1 Chemaxon Rule of Five No 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 splash10-0296-5093000000-8a2656ef2c077328e38f Predicted MS/MS Spectrum - 10V, Positive (Annotated) Predicted LC-MS/MS splash10-014j-0980000000-976c0fb38ac679a034db Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS splash10-0a4i-9000000000-c2e46913478553b0a445 Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS splash10-0a4i-9000000000-2a37f289315b35f6d626 Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS splash10-00r5-0940000000-ca08bc6175098137488f Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS splash10-0a4i-9000000000-588ee6697087d4260422 Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS splash10-015c-1920000000-fb4a352c152db70a500e 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]- 209.1651914 predictedDarkChem Lite v0.1.0 [M-H]- 188.72298 predictedDeepCCS 1.0 (2019) [M+H]+ 209.1024914 predictedDarkChem Lite v0.1.0 [M+H]+ 191.08101 predictedDeepCCS 1.0 (2019) [M+Na]+ 209.5714914 predictedDarkChem Lite v0.1.0 [M+Na]+ 197.8764 predictedDeepCCS 1.0 (2019)
Drug created at October 20, 2016 21:22 / Updated at February 21, 2021 18:53