Thiopropazate

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

Identification

Generic Name
Thiopropazate
DrugBank Accession Number
DB13557
Background

Not Available

Type
Small Molecule
Groups
Experimental
Structure
Weight
Average: 446.01
Monoisotopic: 445.159076
Chemical Formula
C23H28ClN3O2S
Synonyms
  • Thiopropazate
  • tiopropazato

Pharmacology

Indication

Not Available

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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.
DrugInteraction
1,2-BenzodiazepineThe risk or severity of CNS depression can be increased when 1,2-Benzodiazepine is combined with Thiopropazate.
AcetazolamideThe risk or severity of CNS depression can be increased when Acetazolamide is combined with Thiopropazate.
AcetophenazineThe risk or severity of CNS depression can be increased when Acetophenazine is combined with Thiopropazate.
AgomelatineThe risk or severity of CNS depression can be increased when Agomelatine is combined with Thiopropazate.
AlfentanilThe risk or severity of CNS depression can be increased when Alfentanil is combined with Thiopropazate.
Food Interactions
Not Available

Categories

ATC Codes
N05AB05 — Thiopropazate
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 / N-alkylpiperazines / 1,4-thiazines / Aryl chlorides / Benzenoids / Trialkylamines / Amino acids and derivatives / Carboxylic acid esters / Monocarboxylic acids and derivatives
show 6 more
Substituents
1,4-diazinane / Alkyldiarylamine / Amine / Amino acid or derivatives / Aromatic heteropolycyclic compound / Aryl chloride / Aryl halide / Aryl thioether / Azacycle / Benzenoid
show 22 more
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
phenothiazines, organochlorine compound, acetate ester, N-alkylpiperazine (CHEBI:59119)
Affected organisms
Not Available

Chemical Identifiers

UNII
0JFY081Q2X
CAS number
84-06-0
InChI Key
AIUHRQHVWSUTGJ-UHFFFAOYSA-N
InChI
InChI=1S/C23H28ClN3O2S/c1-18(28)29-16-15-26-13-11-25(12-14-26)9-4-10-27-20-5-2-3-6-22(20)30-23-8-7-19(24)17-21(23)27/h2-3,5-8,17H,4,9-16H2,1H3
IUPAC Name
2-{4-[3-(2-chloro-10H-phenothiazin-10-yl)propyl]piperazin-1-yl}ethyl acetate
SMILES
CC(=O)OCCN1CCN(CCCN2C3=CC=CC=C3SC3=C2C=C(Cl)C=C3)CC1

References

General References
Not Available
ChemSpider
6504
RxNav
38133
ChEBI
59119
ChEMBL
CHEMBL1697851
ZINC
ZINC000022446680
Wikipedia
Thiopropazate

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
Not AvailableCompletedNot AvailableBipolar Disorder (BD) / Psychosis / Schizoaffective Disorders / Schizophrenia / Type 2 Diabetes Mellitus1

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 Solubility0.00639 mg/mLALOGPS
logP4.64ALOGPS
logP4.13Chemaxon
logS-4.8ALOGPS
pKa (Strongest Basic)7.5Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count4Chemaxon
Hydrogen Donor Count0Chemaxon
Polar Surface Area36.02 Å2Chemaxon
Rotatable Bond Count8Chemaxon
Refractivity125.25 m3·mol-1Chemaxon
Polarizability49.23 Å3Chemaxon
Number of Rings4Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterYesChemaxon
Veber's RuleYesChemaxon
MDDR-like RuleYesChemaxon
Predicted ADMET Features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
GC-MS Spectrum - EI-BGC-MSsplash10-000b-6972100000-07269f16c4216a033299
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-0a4i-9000100000-ac28bd1f6cab8f397612
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-0002-0000900000-66ba8227ec9d23cc5af8
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-000j-1549600000-36e0fea8c341f1a733ff
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-0a4i-9000000000-6b17eb2067678479a50b
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-0a59-9000000000-9514357e0d4edafe7c7c
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-014j-0229100000-b3e992541b4aa06d70d2
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]-194.3878
predicted
DeepCCS 1.0 (2019)
[M+H]+196.7458
predicted
DeepCCS 1.0 (2019)
[M+Na]+204.0414
predicted
DeepCCS 1.0 (2019)

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