Clothiapine

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

Identification

Logo pink
Are you a
new drug developer?
Contact us to learn more about our customized products and solutions.
Name
Clothiapine
Accession Number
DB13256
Type
Small Molecule
Groups
Approved
Description

Clothiapine has been approved in European countries and is an atypical antipsychotic, shown to be useful in some treatment-resistant patients.

Structure
Thumb
Synonyms
  • Clotiapina
  • Clotiapine
External IDs
HF-2159
Categories
UNII
Z05HCY0X1T
CAS number
2058-52-8
Weight
Average: 343.87
Monoisotopic: 343.0909965
Chemical Formula
C18H18ClN3S
InChI Key
KAAZGXDPUNNEFN-UHFFFAOYSA-N
InChI
InChI=1S/C18H18ClN3S/c1-21-8-10-22(11-9-21)18-14-12-13(19)6-7-16(14)23-17-5-3-2-4-15(17)20-18/h2-7,12H,8-11H2,1H3
IUPAC Name
13-chloro-10-(4-methylpiperazin-1-yl)-2-thia-9-azatricyclo[9.4.0.0³,⁸]pentadeca-1(11),3,5,7,9,12,14-heptaene
SMILES
CN1CCN(CC1)C1=NC2=CC=CC=C2SC2=C1C=C(Cl)C=C2

Pharmacology

Indication
Not Available
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
Toxicity
Not Available
Affected organisms
Not Available
Pathways
Not Available
Pharmacogenomic Effects/ADRs
Not Available

Interactions

Drug Interactions
DrugInteraction
2,5-Dimethoxy-4-ethylamphetamineClothiapine may decrease the stimulatory activities of 2,5-Dimethoxy-4-ethylamphetamine.
2,5-Dimethoxy-4-ethylthioamphetamineClothiapine may decrease the stimulatory activities of 2,5-Dimethoxy-4-ethylthioamphetamine.
4-Bromo-2,5-dimethoxyamphetamineThe risk or severity of adverse effects can be increased when 4-Bromo-2,5-dimethoxyamphetamine is combined with Clothiapine.
4-MethoxyamphetamineThe risk or severity of adverse effects can be increased when 4-Methoxyamphetamine is combined with Clothiapine.
5-methoxy-N,N-dimethyltryptamineThe risk or severity of adverse effects can be increased when Clothiapine is combined with 5-methoxy-N,N-dimethyltryptamine.
7-NitroindazoleThe risk or severity of adverse effects can be increased when 7-Nitroindazole is combined with Clothiapine.
7,8-Dichloro-1,2,3,4-tetrahydroisoquinolineThe risk or severity of adverse effects can be increased when 7,8-Dichloro-1,2,3,4-tetrahydroisoquinoline is combined with Clothiapine.
AcepromazineThe risk or severity of adverse effects can be increased when Acepromazine is combined with Clothiapine.
AceprometazineThe risk or severity of adverse effects can be increased when Aceprometazine is combined with Clothiapine.
AcetazolamideThe risk or severity of adverse effects can be increased when Acetazolamide is combined with Clothiapine.
Additional Data Available
  • Extended Description
    Extended Description

    Extended description of the mechanism of action and particular properties of each drug interaction.

    Learn more
  • Severity
    Severity

    A severity rating for each drug interaction, from minor to major.

    Learn more
  • Evidence Level
    Evidence Level

    A rating for the strength of the evidence supporting each drug interaction.

    Learn more
  • Action
    Action

    An effect category for each drug interaction. Know how this interaction affects the subject drug.

    Learn more
Food Interactions
Not Available

References

General References
Not Available
External Links
ChemSpider
15510
BindingDB
50040237
ChEBI
31424
ChEMBL
CHEMBL304902
Wikipedia
Clotiapine
ATC Codes
N05AH06 — Clotiapine

Clinical Trials

Clinical Trials
Not Available

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 Solubility0.0142 mg/mLALOGPS
logP4.1ALOGPS
logP4.15ChemAxon
logS-4.4ALOGPS
pKa (Strongest Basic)7.23ChemAxon
Physiological Charge1ChemAxon
Hydrogen Acceptor Count3ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area18.84 Å2ChemAxon
Rotatable Bond Count0ChemAxon
Refractivity101.55 m3·mol-1ChemAxon
Polarizability36.73 Å3ChemAxon
Number of Rings4ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleYesChemAxon
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/MSNot Available
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSNot Available

Taxonomy

Description
This compound belongs to the class of organic compounds known as dibenzothiazepines. These are compounds containing a dibenzothiazepine moiety, which consists of two benzene connected by a thiazepine ring.
Kingdom
Organic compounds
Super Class
Organoheterocyclic compounds
Class
Benzothiazepines
Sub Class
Dibenzothiazepines
Direct Parent
Dibenzothiazepines
Alternative Parents
Diarylthioethers / N-methylpiperazines / Imidolactams / Benzenoids / Aryl chlorides / Trialkylamines / Propargyl-type 1,3-dipolar organic compounds / Carboxamidines / Azacyclic compounds / Organopnictogen compounds
show 2 more
Substituents
Dibenzothiazepine / Diarylthioether / Aryl thioether / N-alkylpiperazine / N-methylpiperazine / Aryl chloride / Aryl halide / 1,4-diazinane / Imidolactam / Piperazine
show 17 more
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
Not Available

Drug created on June 23, 2017 14:38 / Updated on June 04, 2019 07:49