NAV

Tropatepine

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

Identification

Generic Name
Tropatepine
DrugBank Accession Number
DB13252
Background

Tropatepine has been used in France for its antiparkinsons activities 1.

Type
Small Molecule
Groups
Experimental
Structure
3D
Similar Structures
Weight
Average: 333.49
Monoisotopic: 333.155120919
Chemical Formula
C22H23NS
Synonyms
  • Tropatepine
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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.
DrugInteraction
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interactions in your software
AclidiniumThe risk or severity of adverse effects can be increased when Tropatepine is combined with Aclidinium.
AdenosineThe risk or severity of Tachycardia can be increased when Adenosine is combined with Tropatepine.
AlbuterolThe risk or severity of Tachycardia can be increased when Salbutamol is combined with Tropatepine.
AlfentanilThe risk or severity of adverse effects can be increased when Tropatepine is combined with Alfentanil.
AlloinThe therapeutic efficacy of Alloin can be decreased when used in combination with Tropatepine.
Food Interactions
Not Available

Categories

ATC Codes
N04AA12 — Tropatepine
Drug Categories
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as dibenzothiepins. These are compounds containing a dibenzothiepin moiety, which consists of two benzene connected by a thiepine ring.
Kingdom
Organic compounds
Super Class
Organoheterocyclic compounds
Class
Benzothiepins
Sub Class
Dibenzothiepins
Direct Parent
Dibenzothiepins
Alternative Parents
Tropane alkaloids / Alkylarylthioethers / Piperidines / N-alkylpyrrolidines / Benzenoids / Trialkylamines / Azacyclic compounds / Organopnictogen compounds / Hydrocarbon derivatives
Substituents
Alkylarylthioether / Amine / Aromatic heteropolycyclic compound / Aryl thioether / Azacycle / Benzenoid / Dibenzothiepin / Hydrocarbon derivative / N-alkylpyrrolidine / Organic nitrogen compound
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
C27HY5RFU5
CAS number
27574-24-9
InChI Key
JOQKFRLFXDPXHX-HDICACEKSA-N
InChI
InChI=1S/C22H23NS/c1-23-17-10-11-18(23)13-16(12-17)22-19-7-3-2-6-15(19)14-24-21-9-5-4-8-20(21)22/h2-9,17-18H,10-14H2,1H3/t17-,18+
IUPAC Name
(1R,5S)-8-methyl-3-{9-thiatricyclo[9.4.0.0^{3,8}]pentadeca-1(15),3(8),4,6,11,13-hexaen-2-ylidene}-8-azabicyclo[3.2.1]octane
SMILES
CN1[C@H]2CC[C@@H]1CC(C2)=C1C2=CC=CC=C2CSC2=C1C=CC=C2

References

General References
  1. Lambert A, dachary JM, Marie C, Oules J, Pagot R, Sales M, Vauterin C: [A new synthetic antiparkinsonian drug, tropatepine hydrochloride in extrapyramidal syndromes induced by neuroleptics]. Encephale. 1976;2(2):115-21. [Article]
ChemSpider
59008681
RxNav
38876
ZINC
ZINC000001481943
Wikipedia
Tropatepine

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 Solubility0.000866 mg/mLALOGPS
logP5.47ALOGPS
logP4.82Chemaxon
logS-5.6ALOGPS
pKa (Strongest Basic)9.37Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count1Chemaxon
Hydrogen Donor Count0Chemaxon
Polar Surface Area3.24 Å2Chemaxon
Rotatable Bond Count0Chemaxon
Refractivity114.02 m3·mol-1Chemaxon
Polarizability38.08 Å3Chemaxon
Number of Rings5Chemaxon
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/MSsplash10-001i-0009000000-98b810450add37728673
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-001i-0039000000-ee511ba4b06e62212455
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-001i-0009000000-7bd724b6e0ae3bc3d5f6
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-001i-0009000000-072c62e603f188c43090
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-010r-3945000000-bfe5bbb86c4a3f1c3fc1
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-0f79-0093000000-f07ddf5f752634f56b6a
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]-168.78781
predicted
DeepCCS 1.0 (2019)
[M+H]+171.14583
predicted
DeepCCS 1.0 (2019)
[M+Na]+177.79608
predicted
DeepCCS 1.0 (2019)

Drug created at June 23, 2017 20:38 / Updated at February 21, 2021 18:54