NAV

Cinepazet

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

Identification

Generic Name
Cinepazet
DrugBank Accession Number
DB13342
Background

Not Available

Type
Small Molecule
Groups
Experimental
Structure
3D
Similar Structures
Weight
Average: 392.452
Monoisotopic: 392.19473663
Chemical Formula
C20H28N2O6
Synonyms
  • Cinepazet
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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

Categories

ATC Codes
C01DX14 — Cinepazet
Drug Categories
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as alpha amino acid esters. These are ester derivatives of alpha amino acids.
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 acid esters
Alternative Parents
Cinnamic acids and derivatives / Styrenes / Phenoxy compounds / Anisoles / Methoxybenzenes / Alkyl aryl ethers / N-alkylpiperazines / Tertiary carboxylic acid amides / Trialkylamines / Carboxylic acid esters
show 6 more
Substituents
1,4-diazinane / Alkyl aryl ether / Alpha-amino acid ester / Amine / Anisole / Aromatic heteromonocyclic compound / Azacycle / Benzenoid / Carbonyl group / Carboxamide group
show 22 more
Molecular Framework
Aromatic heteromonocyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
0LC95WWE9Q
CAS number
23887-41-4
InChI Key
XDUOTWNXVDBCDY-VOTSOKGWSA-N
InChI
InChI=1S/C20H28N2O6/c1-5-28-19(24)14-21-8-10-22(11-9-21)18(23)7-6-15-12-16(25-2)20(27-4)17(13-15)26-3/h6-7,12-13H,5,8-11,14H2,1-4H3/b7-6+
IUPAC Name
ethyl 2-{4-[(2E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]piperazin-1-yl}acetate
SMILES
CCOC(=O)CN1CCN(CC1)C(=O)\C=C\C1=CC(OC)=C(OC)C(OC)=C1

References

General References
Not Available
ChemSpider
4939323
ChEBI
135617
ChEMBL
CHEMBL2110784
ZINC
ZINC000038595418
Wikipedia
Cinepazet

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 Solubility0.325 mg/mLALOGPS
logP1.85ALOGPS
logP1.13Chemaxon
logS-3.1ALOGPS
pKa (Strongest Basic)4.86Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count6Chemaxon
Hydrogen Donor Count0Chemaxon
Polar Surface Area77.54 Å2Chemaxon
Rotatable Bond Count9Chemaxon
Refractivity105.72 m3·mol-1Chemaxon
Polarizability42.86 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 MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-0006-0009000000-0ed2a681b59b94bd8d9a
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-0006-0309000000-59054039284ff8b62408
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-01oy-0029000000-43c4abb2ba3ef187feb7
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-0q5c-1309000000-87b85b4e9c4512d68809
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-052b-3339000000-7c0098ea7c74a95eef6b
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-0zgr-0669000000-2f7772ce96a2f8809eb8
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]-192.96355
predicted
DeepCCS 1.0 (2019)
[M+H]+195.32155
predicted
DeepCCS 1.0 (2019)
[M+Na]+201.96732
predicted
DeepCCS 1.0 (2019)

Drug created at June 23, 2017 20:40 / Updated at February 21, 2021 18:54