Chlorproethazine

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

Identification

Generic Name
Chlorproethazine
DrugBank Accession Number
DB13382
Background

Not Available

Type
Small Molecule
Groups
Experimental
Structure
Weight
Average: 346.92
Monoisotopic: 346.1270476
Chemical Formula
C19H23ClN2S
Synonyms
  • Chlorproethazine

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 Chlorproethazine.
AcebutololThe serum concentration of Acebutolol can be increased when it is combined with Chlorproethazine.
AcetazolamideThe risk or severity of CNS depression can be increased when Acetazolamide is combined with Chlorproethazine.
AcetohexamideThe therapeutic efficacy of Acetohexamide can be decreased when used in combination with Chlorproethazine.
AcetophenazineThe risk or severity of CNS depression can be increased when Acetophenazine is combined with Chlorproethazine.
Food Interactions
Not Available

Categories

ATC Codes
N05AA07 — Chlorproethazine
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 / Benzenoids / Aryl chlorides / 1,4-thiazines / Trialkylamines / Azacyclic compounds / Organopnictogen compounds / Organochlorides / Hydrocarbon derivatives
Substituents
Alkyldiarylamine / Amine / Aromatic heteropolycyclic compound / Aryl chloride / Aryl halide / Aryl thioether / Azacycle / Benzenoid / Diarylthioether / Hydrocarbon derivative
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
960NX27Z07
CAS number
84-01-5
InChI Key
DBOUGBAQLIXZLV-UHFFFAOYSA-N
InChI
InChI=1S/C19H23ClN2S/c1-3-21(4-2)12-7-13-22-16-8-5-6-9-18(16)23-19-11-10-15(20)14-17(19)22/h5-6,8-11,14H,3-4,7,12-13H2,1-2H3
IUPAC Name
[3-(2-chloro-10H-phenothiazin-10-yl)propyl]diethylamine
SMILES
CCN(CC)CCCN1C2=CC=CC=C2SC2=C1C=C(Cl)C=C2

References

General References
Not Available
ChemSpider
59173
BindingDB
86724
RxNav
59860
ChEBI
135464
ChEMBL
CHEMBL52125
ZINC
ZINC000000001135
Wikipedia
Chlorproethazine

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 Solubility0.00107 mg/mLALOGPS
logP6.17ALOGPS
logP5.25Chemaxon
logS-5.5ALOGPS
pKa (Strongest Basic)9.74Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count2Chemaxon
Hydrogen Donor Count0Chemaxon
Polar Surface Area6.48 Å2Chemaxon
Rotatable Bond Count6Chemaxon
Refractivity103.25 m3·mol-1Chemaxon
Polarizability39.48 Å3Chemaxon
Number of Rings3Chemaxon
Bioavailability1Chemaxon
Rule of FiveNoChemaxon
Ghose FilterYesChemaxon
Veber's RuleYesChemaxon
MDDR-like RuleYesChemaxon
Predicted ADMET Features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
Predicted GC-MS Spectrum - GC-MSPredicted GC-MSsplash10-00kk-8094000000-eff8a204e29c86ce9b57
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-00di-0091000000-0ae8ace5caa0776d9296
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-0002-0009000000-6f0304630512783ca730
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-0072-9251000000-e7ec598945474cd20652
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-0002-0039000000-c6f4e00ef6028208edb5
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-001r-4090000000-61fa659ee5f293644d54
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-001i-9060000000-582aec4c8ceb79e1c4a4
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]-174.17464
predicted
DeepCCS 1.0 (2019)
[M+H]+176.53264
predicted
DeepCCS 1.0 (2019)
[M+Na]+182.62578
predicted
DeepCCS 1.0 (2019)

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