NAV

Ibopamine

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

Identification

Summary

Ibopamine is a sympathomimetic, indicated in the induction of mydriasis and treatment of pos-surgical ocular hypotonia.

Generic Name
Ibopamine
DrugBank Accession Number
DB13316
Background

Not Available

Type
Small Molecule
Groups
Experimental
Structure
3D
Similar Structures
Weight
Average: 307.3847
Monoisotopic: 307.178358293
Chemical Formula
C17H25NO4
Synonyms
  • Ibopamine
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Pharmacology

Indication

Not Available

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Associated Conditions
Indication TypeIndicationCombined Product DetailsApproval LevelAge GroupPatient CharacteristicsDose Form
Diagnostic agentGlaucoma•••••••••••••••••••• • •••••
Treatment ofHypotonia•••••••••••••••••••• • •••••
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
Integrate drug-drug
interactions in your software
EmpagliflozinEmpagliflozin may increase the diuretic activities of Ibopamine.
IloprostIloprost may increase the hypotensive activities of Ibopamine.
Insulin aspartThe therapeutic efficacy of Insulin aspart can be decreased when used in combination with Ibopamine.
Insulin beefThe therapeutic efficacy of Insulin beef can be decreased when used in combination with Ibopamine.
Insulin degludecThe therapeutic efficacy of Insulin degludec can be decreased when used in combination with Ibopamine.
Food Interactions
Not Available

Products

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Categories

ATC Codes
S01FB03 — IbopamineC01CA16 — Ibopamine
Drug Categories
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as phenol esters. These are aromatic compounds containing a benzene ring substituted by a hydroxyl group and an ester group.
Kingdom
Organic compounds
Super Class
Benzenoids
Class
Phenol esters
Sub Class
Not Available
Direct Parent
Phenol esters
Alternative Parents
Phenethylamines / Phenoxy compounds / Aralkylamines / Dicarboxylic acids and derivatives / Carboxylic acid esters / Amino acids and derivatives / Dialkylamines / Organopnictogen compounds / Organic oxides / Hydrocarbon derivatives
show 1 more
Substituents
Amine / Amino acid or derivatives / Aralkylamine / Aromatic homomonocyclic compound / Carbonyl group / Carboxylic acid derivative / Carboxylic acid ester / Dicarboxylic acid or derivatives / Hydrocarbon derivative / Monocyclic benzene moiety
show 11 more
Molecular Framework
Aromatic homomonocyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
8ZCA2I2L11
CAS number
66195-31-1
InChI Key
WDKXLLJDNUBYCY-UHFFFAOYSA-N
InChI
InChI=1S/C17H25NO4/c1-11(2)16(19)21-14-7-6-13(8-9-18-5)10-15(14)22-17(20)12(3)4/h6-7,10-12,18H,8-9H2,1-5H3
IUPAC Name
5-[2-(methylamino)ethyl]-2-[(2-methylpropanoyl)oxy]phenyl 2-methylpropanoate
SMILES
CNCCC1=CC(OC(=O)C(C)C)=C(OC(=O)C(C)C)C=C1

References

General References
  1. AIFA Package Leaflet: TRAZYL (Ibopamine) ophthalmic solution [Link]
Human Metabolome Database
HMDB0041906
ChemSpider
61829
RxNav
51253
ChEBI
135306
ChEMBL
CHEMBL307739
ZINC
ZINC000001542906
Wikipedia
Ibopamine

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount

Pharmacoeconomics

Manufacturers
Not Available
Packagers
Not Available
Dosage Forms
FormRouteStrength
Tablet
Solution / dropsOphthalmic
Prices
Not Available
Patents
Not Available

Properties

State
Not Available
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
Water Solubility0.05 mg/mLALOGPS
logP3.33ALOGPS
logP3.52Chemaxon
logS-3.8ALOGPS
pKa (Strongest Basic)10.01Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count3Chemaxon
Hydrogen Donor Count1Chemaxon
Polar Surface Area64.63 Å2Chemaxon
Rotatable Bond Count9Chemaxon
Refractivity84.73 m3·mol-1Chemaxon
Polarizability34.36 Å3Chemaxon
Number of Rings1Chemaxon
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 GC-MS Spectrum - GC-MSPredicted GC-MSsplash10-00kf-9760000000-41ddee9974dfcde4e5ec
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-0abi-0193000000-b34e4d47e6d1925243a1
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-052r-3297000000-ebdd7d6a8ea89c06d44f
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-05vo-3490000000-809175a60ca5e0402fe7
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-06ri-9771000000-938337799cec13882c3c
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-0535-3920000000-43d8f470eed3b2ed6362
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-0c0a-9860000000-1f64a7f3944f10ad4fb9
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]-190.8364473
predicted
DarkChem Lite v0.1.0
[M-H]-191.5619473
predicted
DarkChem Lite v0.1.0
[M-H]-177.21628
predicted
DeepCCS 1.0 (2019)
[M+H]+190.9086473
predicted
DarkChem Lite v0.1.0
[M+H]+191.2859473
predicted
DarkChem Lite v0.1.0
[M+H]+179.57428
predicted
DeepCCS 1.0 (2019)
[M+Na]+190.7936473
predicted
DarkChem Lite v0.1.0
[M+Na]+192.0199473
predicted
DarkChem Lite v0.1.0
[M+Na]+185.66743
predicted
DeepCCS 1.0 (2019)

Drug created at June 23, 2017 20:39 / Updated at June 02, 2021 20:04