NAV

Diperodon

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

Identification

Generic Name
Diperodon
DrugBank Accession Number
DB11513
Background

Not Available

Type
Small Molecule
Groups
Vet approved
Structure
3D
Similar Structures
Weight
Average: 397.475
Monoisotopic: 397.200156361
Chemical Formula
C22H27N3O4
Synonyms
  • Diperodón
  • Diperodon
  • Dipérodon
  • Diperodonum
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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.
Not Available
Food Interactions
Not Available

Products

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Product Ingredients
IngredientUNIICASInChI Key
Diperodon hydrochloride5YZ5R8I73Y537-12-2OWULVAZDMWJBLB-UHFFFAOYSA-N
International/Other Brands
Proctodon

Categories

Drug Categories
Not Available
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as phenylcarbamic acid esters. These are ester derivatives of phenylcarbamic acids.
Kingdom
Organic compounds
Super Class
Benzenoids
Class
Benzene and substituted derivatives
Sub Class
Phenylcarbamic acid esters
Direct Parent
Phenylcarbamic acid esters
Alternative Parents
Piperidines / Carbamate esters / Trialkylamines / Organic carbonic acids and derivatives / Azacyclic compounds / Organopnictogen compounds / Organic oxides / Hydrocarbon derivatives / Carbonyl compounds
Substituents
Amine / Aromatic heteromonocyclic compound / Azacycle / Carbamic acid ester / Carbonic acid derivative / Carbonyl group / Hydrocarbon derivative / Organic nitrogen compound / Organic oxide / Organic oxygen compound
Molecular Framework
Aromatic heteromonocyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
UIN4PYP84R
CAS number
101-08-6
InChI Key
YUGZHQHSNYIFLG-UHFFFAOYSA-N
InChI
InChI=1S/C22H27N3O4/c26-21(23-18-10-4-1-5-11-18)28-17-20(16-25-14-8-3-9-15-25)29-22(27)24-19-12-6-2-7-13-19/h1-2,4-7,10-13,20H,3,8-9,14-17H2,(H,23,26)(H,24,27)
IUPAC Name
2-[(phenylcarbamoyl)oxy]-3-(piperidin-1-yl)propyl N-phenylcarbamate
SMILES
[H]N(C(=O)OCC(CN1CCCCC1)OC(=O)N([H])C1=CC=CC=C1)C1=CC=CC=C1

References

General References
  1. Calnan CD: Allergy to the local anaesthetic diperodon. Contact Dermatitis. 1980 Aug;6(5):367. [Article]
  2. Dofek R, Vrba C, Kopacova L: [New local anesthetic-acting analogues of Diperodon]. Experientia. 1964 Oct 15;20(10):582-3. [Article]
  3. Hrobonova K, Lehotay J, Cizmarik J, Armstrong DW: In vitro study of enzymatic hydrolysis of diperodon enantiomers in blood serum by two-dimensional LC. J Pharm Biomed Anal. 2002 Oct 15;30(3):875-80. [Article]
  4. Hrobonova K, Lehotay J, Cizmarik J: [HPLC determination of diperodon enantiomers in blood serum by using teicoplanin chiral stationary phase]. Ceska Slov Farm. 2004 Sep;53(5):225-7. [Article]
  5. Cizmarik J, Lehotay J, Hromulakova K: Study of local anaesthetics. Part 133. Determination of diperodon in blood serum in vitro by the HPLC method. Acta Pol Pharm. 1996 May-Jun;53(3):167-9. [Article]
  6. Denderz N, Lehotay J: Application of the van't Hoff dependences in the characterization of molecularly imprinted polymers for some phenolic acids. J Chromatogr A. 2012 Dec 14;1268:44-52. doi: 10.1016/j.chroma.2012.10.025. Epub 2012 Oct 16. [Article]
  7. Denderz N, Lehotay J, Cizmarik J, Cibulkova Z, Simon P: Thermodynamic study of molecularly imprinted polymer used as the stationary phase in high performance liquid chromatography. J Chromatogr A. 2012 Apr 27;1235:77-83. doi: 10.1016/j.chroma.2012.02.051. Epub 2012 Feb 28. [Article]
  8. Cai SS, Hanold KA, Syage JA: Comparison of atmospheric pressure photoionization and atmospheric pressure chemical ionization for normal-phase LC/MS chiral analysis of pharmaceuticals. Anal Chem. 2007 Mar 15;79(6):2491-8. Epub 2007 Feb 9. [Article]
ChemSpider
10374
BindingDB
50225489
RxNav
59247
ChEBI
93842
ChEMBL
CHEMBL338667

Clinical Trials

Clinical Trials
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 Solubility0.0876 mg/mLALOGPS
logP3.58ALOGPS
logP4.42Chemaxon
logS-3.7ALOGPS
pKa (Strongest Acidic)12.73Chemaxon
pKa (Strongest Basic)8.25Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count5Chemaxon
Hydrogen Donor Count2Chemaxon
Polar Surface Area79.9 Å2Chemaxon
Rotatable Bond Count9Chemaxon
Refractivity112.95 m3·mol-1Chemaxon
Polarizability42.35 Å3Chemaxon
Number of Rings3Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterYesChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleYesChemaxon
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/MSsplash10-01r2-0169000000-583b7cfbf6e0a280f923
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-0a4i-0920000000-22a72d355338ccf4afda
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-01r6-0941000000-685259d3c4b009eb0c63
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-0aor-0900000000-d13c9460b2e0d6f33b2d
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-0095-3923000000-f89640aa3a0a6630f30f
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-066u-1920000000-16e0dea6838324e19ffe
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]-189.02745
predicted
DeepCCS 1.0 (2019)
[M+H]+191.70412
predicted
DeepCCS 1.0 (2019)
[M+Na]+200.51549
predicted
DeepCCS 1.0 (2019)

Drug created at February 26, 2016 17:29 / Updated at February 21, 2021 18:53