NAV

Oxazepam acetate

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

Identification

Generic Name
Oxazepam acetate
DrugBank Accession Number
DB14672
Background

Not Available

Type
Small Molecule
Groups
Experimental
Structure
3D
Similar Structures
Weight
Average: 328.75
Monoisotopic: 328.06147
Chemical Formula
C17H13ClN2O3
Synonyms
  • (+/-)-oxazepam 3-acetate
  • (+/-)-oxazepam acetate
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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
TargetActionsOrganism
AGABA(A) Receptor
positive allosteric modulator
Humans
AGABA(A) Receptor Benzodiazepine Binding Site
ligand
Humans
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 Browse all" title="About SNP Mediated Effects/ADRs" id="snp-actions-info" class="drug-info-popup" href="javascript:void(0);">
Not Available

Interactions

Drug Interactions Learn More" title="About Drug Interactions" id="structured-interactions-info" class="drug-info-popup" href="javascript:void(0);">
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
1,2-BenzodiazepineThe risk or severity of CNS depression can be increased when 1,2-Benzodiazepine is combined with Oxazepam acetate.
AcetazolamideThe risk or severity of CNS depression can be increased when Acetazolamide is combined with Oxazepam acetate.
AcetophenazineThe risk or severity of CNS depression can be increased when Acetophenazine is combined with Oxazepam acetate.
AgomelatineThe risk or severity of CNS depression can be increased when Agomelatine is combined with Oxazepam acetate.
AlfentanilThe risk or severity of adverse effects can be increased when Alfentanil is combined with Oxazepam acetate.
Food Interactions
Not Available

Categories

Drug Categories
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as 1,4-benzodiazepines. These are organic compounds containing a benzene ring fused to a 1,4-azepine.
Kingdom
Organic compounds
Super Class
Organoheterocyclic compounds
Class
Benzodiazepines
Sub Class
1,4-benzodiazepines
Direct Parent
1,4-benzodiazepines
Alternative Parents
Alpha amino acids and derivatives / Benzene and substituted derivatives / Aryl chlorides / Secondary carboxylic acid amides / Lactams / Ketimines / Carboxylic acid esters / Propargyl-type 1,3-dipolar organic compounds / Monocarboxylic acids and derivatives / Azacyclic compounds
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Substituents
1,4-benzodiazepine / Alpha-amino acid or derivatives / Aromatic heteropolycyclic compound / Aryl chloride / Aryl halide / Azacycle / Benzenoid / Carbonyl group / Carboxamide group / Carboxylic acid derivative
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Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
611V4315UA
CAS number
1824-74-4
InChI Key
FYRWUTOZBRWYCS-UHFFFAOYSA-N
InChI
InChI=1S/C17H13ClN2O3/c1-10(21)23-17-16(22)19-14-8-7-12(18)9-13(14)15(20-17)11-5-3-2-4-6-11/h2-9,17H,1H3,(H,19,22)
IUPAC Name
7-chloro-2-oxo-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-3-yl acetate
SMILES
CC(=O)OC1N=C(C2=CC=CC=C2)C2=CC(Cl)=CC=C2NC1=O

References

General References
Not Available
ChemSpider
92762
ChEMBL
CHEMBL146245

Clinical Trials

Clinical Trials Learn More" title="About Clinical Trials" id="clinical-trials-info" class="drug-info-popup" href="javascript:void(0);">
PhaseStatusPurposeConditionsCount

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 Solubility0.0125 mg/mLALOGPS
logP3.13ALOGPS
logP3.36Chemaxon
logS-4.4ALOGPS
pKa (Strongest Acidic)11.38Chemaxon
pKa (Strongest Basic)-1.8Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count3Chemaxon
Hydrogen Donor Count1Chemaxon
Polar Surface Area67.76 Å2Chemaxon
Rotatable Bond Count3Chemaxon
Refractivity87.05 m3·mol-1Chemaxon
Polarizability32.2 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/MSsplash10-004i-0019000000-c3da7d127edd2b6bd887
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-0560-8097000000-ea202aa2a0ab588140f7
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-0550-0093000000-bb61154c0ff0870dc2ec
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-014i-0090000000-7beebb77627437bf8bac
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-0uxr-0290000000-2283e6addb0d09ccc6b2
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-0a4l-9110000000-3f124ece6a949f971cf3
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]-161.01723
predicted
DeepCCS 1.0 (2019)
[M+H]+163.37521
predicted
DeepCCS 1.0 (2019)
[M+Na]+169.46837
predicted
DeepCCS 1.0 (2019)

Targets

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Details1. GABA(A) Receptor (Protein Group)
Kind
Protein group
Organism
Humans
Pharmacological action
Yes
Actions
Positive allosteric modulator
Curator comments
The GABA(A) receptor is pentameric (i.e. comprising 5 subunit proteins) and therefore has a multitude of potential isoforms. The above target is a collection of all possible GABA(A) subunits that may participate in the formation of the pentameric receptor and is not meant to imply direct a drug-protein interaction for each individual subunit.
General Function
Inhibitory extracellular ligand-gated ion channel activity
Specific Function
Component of the heteropentameric receptor for GABA, the major inhibitory neurotransmitter in the vertebrate brain. Functions also as histamine receptor and mediates cellular responses to histamine...
Components:
NameUniProt ID
Gamma-aminobutyric acid receptor subunit alpha-1P14867
Gamma-aminobutyric acid receptor subunit alpha-2P47869
Gamma-aminobutyric acid receptor subunit alpha-3P34903
Gamma-aminobutyric acid receptor subunit alpha-4P48169
Gamma-aminobutyric acid receptor subunit alpha-5P31644
Gamma-aminobutyric acid receptor subunit alpha-6Q16445
Gamma-aminobutyric acid receptor subunit beta-1P18505
Gamma-aminobutyric acid receptor subunit beta-2P47870
Gamma-aminobutyric acid receptor subunit beta-3P28472
Gamma-aminobutyric acid receptor subunit deltaO14764
Gamma-aminobutyric acid receptor subunit epsilonP78334
Gamma-aminobutyric acid receptor subunit gamma-1Q8N1C3
Gamma-aminobutyric acid receptor subunit gamma-2P18507
Gamma-aminobutyric acid receptor subunit gamma-3Q99928
Gamma-aminobutyric acid receptor subunit piO00591
Gamma-aminobutyric acid receptor subunit thetaQ9UN88
References
  1. Sigel E, Steinmann ME: Structure, function, and modulation of GABA(A) receptors. J Biol Chem. 2012 Nov 23;287(48):40224-31. doi: 10.1074/jbc.R112.386664. Epub 2012 Oct 4. [Article]
  2. Zhu S, Noviello CM, Teng J, Walsh RM Jr, Kim JJ, Hibbs RE: Structure of a human synaptic GABAA receptor. Nature. 2018 Jul;559(7712):67-72. doi: 10.1038/s41586-018-0255-3. Epub 2018 Jun 27. [Article]
Details2. GABA(A) Receptor Benzodiazepine Binding Site (Protein Group)
Kind
Protein group
Organism
Humans
Pharmacological action
Yes
Actions
Ligand
Curator comments
Benzodiazepines modulate GABA(A) function by binding at the interface between alpha (α) and gamma (γ) subunits. Of the 6 α-subunits, only 4 (α-1, -2, -3, and -5) participate in the formation of this binding site. The above target is a collection of all α- and γ-subunits that are known to participate in the formation of the benzodiazepine binding site.
General Function
Inhibitory extracellular ligand-gated ion channel activity
Specific Function
Component of the heteropentameric receptor for GABA, the major inhibitory neurotransmitter in the vertebrate brain. Functions also as histamine receptor and mediates cellular responses to histamine...
Components:
NameUniProt ID
Gamma-aminobutyric acid receptor subunit alpha-1P14867
Gamma-aminobutyric acid receptor subunit alpha-2P47869
Gamma-aminobutyric acid receptor subunit alpha-3P34903
Gamma-aminobutyric acid receptor subunit alpha-5P31644
Gamma-aminobutyric acid receptor subunit gamma-1Q8N1C3
Gamma-aminobutyric acid receptor subunit gamma-2P18507
Gamma-aminobutyric acid receptor subunit gamma-3Q99928
References
  1. Sigel E, Steinmann ME: Structure, function, and modulation of GABA(A) receptors. J Biol Chem. 2012 Nov 23;287(48):40224-31. doi: 10.1074/jbc.R112.386664. Epub 2012 Oct 4. [Article]
  2. Zhu S, Noviello CM, Teng J, Walsh RM Jr, Kim JJ, Hibbs RE: Structure of a human synaptic GABAA receptor. Nature. 2018 Jul;559(7712):67-72. doi: 10.1038/s41586-018-0255-3. Epub 2018 Jun 27. [Article]

Drug created at September 03, 2018 17:21 / Updated at June 12, 2020 16:53