Butaperazine

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

Identification

Generic Name
Butaperazine
DrugBank Accession Number
DB13213
Background

Butaperazine was approved in 1967 2, and possibly discontinued in the 1980s 1.

Type
Small Molecule
Groups
Approved
Structure
Weight
Average: 409.59
Monoisotopic: 409.218783804
Chemical Formula
C24H31N3OS
Synonyms
  • Butaperazine
External IDs
  • AHR-3000
  • BAYER 1362
  • RIKER 595

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.
DrugInteraction
1,2-BenzodiazepineThe risk or severity of CNS depression can be increased when 1,2-Benzodiazepine is combined with Butaperazine.
AcebutololThe serum concentration of Acebutolol can be increased when it is combined with Butaperazine.
AcetazolamideThe risk or severity of CNS depression can be increased when Acetazolamide is combined with Butaperazine.
AcetohexamideThe therapeutic efficacy of Acetohexamide can be decreased when used in combination with Butaperazine.
AcetophenazineThe risk or severity of CNS depression can be increased when Acetophenazine is combined with Butaperazine.
Food Interactions
Not Available

Categories

ATC Codes
N05AB09 — Butaperazine
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 / Butyrophenones / Aryl alkyl ketones / N-methylpiperazines / 1,4-thiazines / Trialkylamines / Azacyclic compounds / Organopnictogen compounds / Organic oxides
show 1 more
Substituents
1,4-diazinane / Alkyldiarylamine / Amine / Aromatic heteropolycyclic compound / Aryl alkyl ketone / Aryl ketone / Aryl thioether / Azacycle / Benzenoid / Butyrophenone
show 18 more
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
TXP4T9106S
CAS number
653-03-2
InChI Key
DVLBYTMYSMAKHP-UHFFFAOYSA-N
InChI
InChI=1S/C24H31N3OS/c1-3-7-22(28)19-10-11-24-21(18-19)27(20-8-4-5-9-23(20)29-24)13-6-12-26-16-14-25(2)15-17-26/h4-5,8-11,18H,3,6-7,12-17H2,1-2H3
IUPAC Name
1-{10-[3-(4-methylpiperazin-1-yl)propyl]-10H-phenothiazin-2-yl}butan-1-one
SMILES
CCCC(=O)C1=CC2=C(SC3=CC=CC=C3N2CCCN2CCN(C)CC2)C=C1

References

General References
  1. 8. (2015). In Psychiatry in Communist Europe. Palgrave Macmillan. [ISBN:1137490934]
  2. NIH - Inxight Drugs - Butaperazine Maleate [Link]
ChemSpider
12078
ChEBI
135663
ChEMBL
CHEMBL1697826
ZINC
ZINC000022446639
Wikipedia
Butaperazine

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 Solubility0.0103 mg/mLALOGPS
logP4.34ALOGPS
logP4.48Chemaxon
logS-4.6ALOGPS
pKa (Strongest Acidic)17.29Chemaxon
pKa (Strongest Basic)7.86Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count4Chemaxon
Hydrogen Donor Count0Chemaxon
Polar Surface Area26.79 Å2Chemaxon
Rotatable Bond Count7Chemaxon
Refractivity124.63 m3·mol-1Chemaxon
Polarizability47.63 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
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-03dl-0006900000-12a9121c0a305934d797
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-0a4i-0001900000-c99a1b5ccb361f229c96
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-03dl-0419700000-da63945b352c284a73f9
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-0aor-0038900000-0c6e5ffa98020d5006c9
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-000x-7609100000-2519967434e1b4589236
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-0fb9-1089000000-f2ae86a7434ec923dcfd
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]-224.6149969
predicted
DarkChem Lite v0.1.0
[M-H]-198.41333
predicted
DeepCCS 1.0 (2019)
[M+H]+225.0036969
predicted
DarkChem Lite v0.1.0
[M+H]+200.81432
predicted
DeepCCS 1.0 (2019)
[M+Na]+225.0950969
predicted
DarkChem Lite v0.1.0
[M+Na]+207.9755
predicted
DeepCCS 1.0 (2019)

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