NAV

Piprozolin

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

Identification

Generic Name
Piprozolin
DrugBank Accession Number
DB13202
Background

Not Available

Type
Small Molecule
Groups
Experimental
Structure
3D
Similar Structures
Weight
Average: 298.4
Monoisotopic: 298.13511375
Chemical Formula
C14H22N2O3S
Synonyms
  • (+-)-Piprozolin
  • Piprozolin
  • Piprozolina
  • Piprozoline
  • Piprozolinum
External IDs
  • GO-919
  • W 3699GO 919
  • W-3699
Poor quality drug data slowing you down?
Unlock 38% more drug discovery time and eliminate decision-making doubts with this one-stop guide to quality drug data.
Download eBook
Poor quality drug data slowing you down?
Download eBook

Pharmacology

Indication

Not Available

Reduce drug development failure rates
Build, train, & validate machine-learning models
with evidence-based and structured datasets.
See how
Build, train, & validate predictive machine-learning models with structured datasets.
See how
Contraindications & Blackbox Warnings
Prevent Adverse Drug Events Today
Tap into our Clinical API for life-saving information on contraindications & blackbox warnings, population restrictions, harmful risks, & more.
Learn more
Avoid life-threatening adverse drug events with our Clinical API
Learn more
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 outcomes
With structured adverse effects data, including: blackbox warnings, adverse reactions, warning & precautions, & incidence rates. View sample adverse effects data in our new Data Library!
See the data
Improve decision support & research outcomes with our structured adverse effects data.
See a data sample
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

Categories

ATC Codes
A05AX01 — Piprozolin
Drug Categories
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.
Kingdom
Organic compounds
Super Class
Organic acids and derivatives
Class
Carboxylic acids and derivatives
Sub Class
Amino acids, peptides, and analogues
Direct Parent
Alpha amino acids and derivatives
Alternative Parents
Vinylogous thioesters / Piperidines / Vinylogous amides / Thiazolidines / Tertiary carboxylic acid amides / Acrylic acids and derivatives / Enoate esters / Lactams / Ketene acetals / Thiohemiaminal derivatives
show 7 more
Substituents
Acrylic acid or derivatives / Aliphatic heteromonocyclic compound / Alpha,beta-unsaturated carboxylic ester / Alpha-amino acid or derivatives / Azacycle / Carbonyl group / Carboxamide group / Carboxylic acid ester / Enoate ester / Hemithioaminal
show 16 more
Molecular Framework
Aliphatic heteromonocyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
7786W0VV8M
CAS number
17243-64-0
InChI Key
UAXYBJSAPFTPNB-KHPPLWFESA-N
InChI
InChI=1S/C14H22N2O3S/c1-3-16-11(10-12(17)19-4-2)20-14(13(16)18)15-8-6-5-7-9-15/h10,14H,3-9H2,1-2H3/b11-10-
IUPAC Name
ethyl 2-[(2Z)-3-ethyl-4-oxo-5-(piperidin-1-yl)-1,3-thiazolidin-2-ylidene]acetate
SMILES
[H]\C(C(=O)OCC)=C1\SC(N2CCCCC2)C(=O)N1CC

References

General References
Not Available
ChemSpider
4744588
RxNav
33761
ChEMBL
CHEMBL2105231
Wikipedia
Piprozolin

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 Solubility4.12 mg/mLALOGPS
logP2.61ALOGPS
logP2.28Chemaxon
logS-1.9ALOGPS
pKa (Strongest Basic)5.38Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count3Chemaxon
Hydrogen Donor Count0Chemaxon
Polar Surface Area49.85 Å2Chemaxon
Rotatable Bond Count5Chemaxon
Refractivity90.25 m3·mol-1Chemaxon
Polarizability32.53 Å3Chemaxon
Number of Rings2Chemaxon
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-MSsplash10-0059-8390000000-e16a959bd5dce77fed4c
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-0udi-0090000000-155a7b14544cce05a8a3
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-0002-0090000000-deea9872bfec8a8091db
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-0uki-2290000000-64b53511b457c847838d
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-11dj-4970000000-9f829851b158241b7881
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-0f6w-9440000000-d54041e8ed363b03fcee
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-004l-4910000000-1fd40f821faa1837673b
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]-166.30946
predicted
DeepCCS 1.0 (2019)
[M+H]+168.66748
predicted
DeepCCS 1.0 (2019)
[M+Na]+175.46657
predicted
DeepCCS 1.0 (2019)

Drug created at June 23, 2017 20:37 / Updated at February 21, 2021 18:54