NAV

Zuretinol acetate

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
3D
Similar Structures
Weight
Average: 328.4883
Monoisotopic: 328.240230268
Chemical Formula
C22H32O2
Synonyms
  • Zuretinol acetate
External IDs
  • QLT-091001
  • QLT091001
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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.
DrugInteraction
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interactions in your software
Cyproterone acetateThe therapeutic efficacy of Cyproterone acetate can be decreased when used in combination with Zuretinol acetate.
DemeclocyclineThe risk or severity of pseudotumor cerebri can be increased when Zuretinol acetate is combined with Demeclocycline.
DesogestrelThe therapeutic efficacy of Desogestrel can be decreased when used in combination with Zuretinol acetate.
DienogestThe therapeutic efficacy of Dienogest can be decreased when used in combination with Zuretinol acetate.
DiethylstilbestrolThe therapeutic efficacy of Diethylstilbestrol can be decreased when used in combination with Zuretinol acetate.
Food Interactions
Not Available

Categories

Drug Categories
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
Human Metabolome Database
HMDB0035185
PubChem Compound
10245972
PubChem Substance
347828413
ChemSpider
8421459
ZINC
ZINC000014685555

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
2CompletedTreatmentImpaired adaptation to dark1
1CompletedNot AvailableHuman Healthy Volunteers1
1CompletedTreatmentLeber Congenital Amaurosis (LCA) / Retinitis Pigmentosa (RP)2
1CompletedTreatmentRetinitis 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
PropertyValueSource
Water Solubility0.00238 mg/mLALOGPS
logP6.56ALOGPS
logP5.14Chemaxon
logS-5.1ALOGPS
pKa (Strongest Basic)-7Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count1Chemaxon
Hydrogen Donor Count0Chemaxon
Polar Surface Area26.3 Å2Chemaxon
Rotatable Bond Count7Chemaxon
Refractivity107.07 m3·mol-1Chemaxon
Polarizability40.5 Å3Chemaxon
Number of Rings1Chemaxon
Bioavailability1Chemaxon
Rule of FiveNoChemaxon
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-MSsplash10-0296-5093000000-8a2656ef2c077328e38f
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-014j-0980000000-976c0fb38ac679a034db
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-0a4i-9000000000-c2e46913478553b0a445
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-0a4i-9000000000-2a37f289315b35f6d626
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-00r5-0940000000-ca08bc6175098137488f
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-0a4i-9000000000-588ee6697087d4260422
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-015c-1920000000-fb4a352c152db70a500e
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]-209.1651914
predicted
DarkChem Lite v0.1.0
[M-H]-188.72298
predicted
DeepCCS 1.0 (2019)
[M+H]+209.1024914
predicted
DarkChem Lite v0.1.0
[M+H]+191.08101
predicted
DeepCCS 1.0 (2019)
[M+Na]+209.5714914
predicted
DarkChem Lite v0.1.0
[M+Na]+197.8764
predicted
DeepCCS 1.0 (2019)

Drug created at October 20, 2016 21:22 / Updated at February 21, 2021 18:53