NAV

Metopimazine

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

Identification

Generic Name
Metopimazine
DrugBank Accession Number
DB13591
Background

Not Available

Type
Small Molecule
Groups
Experimental
Structure
3D
Similar Structures
Weight
Average: 445.6
Monoisotopic: 445.149384089
Chemical Formula
C22H27N3O3S2
Synonyms
  • Metopimazina
  • Metopimazine
  • Metopimazinum
External IDs
  • EXP 999
  • RP 9965
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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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International/Other Brands
Nortrip

Categories

ATC Codes
A04AD05 — Metopimazine
Drug Categories
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as phenothiazines. These are polycyclic aromatic compounds containing a phenothiazine moiety, which is a linear tricyclic system that consists of a two benzene rings joined by a para-thiazine ring.
Kingdom
Organic compounds
Super Class
Organoheterocyclic compounds
Class
Benzothiazines
Sub Class
Phenothiazines
Direct Parent
Phenothiazines
Alternative Parents
Alkyldiarylamines / Diarylthioethers / Piperidinecarboxamides / Benzenoids / 1,4-thiazines / Sulfones / Trialkylamines / Primary carboxylic acid amides / Amino acids and derivatives / Azacyclic compounds
show 4 more
Substituents
Alkyldiarylamine / Amine / Amino acid or derivatives / Aromatic heteropolycyclic compound / Aryl thioether / Azacycle / Benzenoid / Carbonyl group / Carboxamide group / Carboxylic acid derivative
show 20 more
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
238S75V9AV
CAS number
14008-44-7
InChI Key
BQDBKDMTIJBJLA-UHFFFAOYSA-N
InChI
InChI=1S/C22H27N3O3S2/c1-30(27,28)17-7-8-21-19(15-17)25(18-5-2-3-6-20(18)29-21)12-4-11-24-13-9-16(10-14-24)22(23)26/h2-3,5-8,15-16H,4,9-14H2,1H3,(H2,23,26)
IUPAC Name
1-[3-(2-methanesulfonyl-10H-phenothiazin-10-yl)propyl]piperidine-4-carboxamide
SMILES
CS(=O)(=O)C1=CC=C2SC3=C(C=CC=C3)N(CCCN3CCC(CC3)C(N)=O)C2=C1

References

General References
Not Available
ChemSpider
24584
BindingDB
179867
RxNav
29954
ChEBI
135726
ChEMBL
CHEMBL398615
ZINC
ZINC000000537996
Wikipedia
Metopimazine

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
2CompletedOtherDiabetic Gastroparesis / Idiopathic Gastroparesis1

Pharmacoeconomics

Manufacturers
Not Available
Packagers
Not Available
Dosage Forms
FormRouteStrength
SolutionOral0.1 g
Prices
Not Available
Patents
Not Available

Properties

State
Not Available
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
Water Solubility0.019 mg/mLALOGPS
logP2.91ALOGPS
logP2.04Chemaxon
logS-4.4ALOGPS
pKa (Strongest Acidic)15.93Chemaxon
pKa (Strongest Basic)8.48Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count5Chemaxon
Hydrogen Donor Count1Chemaxon
Polar Surface Area83.71 Å2Chemaxon
Rotatable Bond Count6Chemaxon
Refractivity123.16 m3·mol-1Chemaxon
Polarizability47.93 Å3Chemaxon
Number of Rings4Chemaxon
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/MSsplash10-0002-0001900000-f423cd68a112150417c8
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-0006-0000900000-b3ce7dfd3fa13cdf8259
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-002b-0100900000-948e9a478ccfb4e943c5
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-0006-0000900000-ba78e58ab945fff375a9
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-014j-1615900000-dff025c9ca9931fb7864
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-004l-9155300000-67f6614a5b196fa584c6
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]-219.7951868
predicted
DarkChem Lite v0.1.0
[M-H]-195.30434
predicted
DeepCCS 1.0 (2019)
[M+H]+220.4751868
predicted
DarkChem Lite v0.1.0
[M+H]+197.66234
predicted
DeepCCS 1.0 (2019)
[M+Na]+219.1694868
predicted
DarkChem Lite v0.1.0
[M+Na]+203.98802
predicted
DeepCCS 1.0 (2019)

Drug created at June 23, 2017 20:44 / Updated at February 21, 2021 18:54