Deptropine

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

Identification

Generic Name
Deptropine
DrugBank Accession Number
DB13466
Background

Not Available

Type
Small Molecule
Groups
Experimental
Structure
Weight
Average: 333.475
Monoisotopic: 333.209264493
Chemical Formula
C23H27NO
Synonyms
  • deptropina
  • Deptropine

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
AmphetamineAmphetamine may decrease the sedative activities of Deptropine.
BenzphetamineBenzphetamine may decrease the sedative activities of Deptropine.
Benzylpenicilloyl polylysineDeptropine may decrease effectiveness of Benzylpenicilloyl polylysine as a diagnostic agent.
BetahistineThe therapeutic efficacy of Betahistine can be decreased when used in combination with Deptropine.
DextroamphetamineDextroamphetamine may decrease the sedative activities of Deptropine.
Food Interactions
Not Available

Products

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Categories

ATC Codes
R06AX16 — Deptropine
Drug Categories
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as dibenzocycloheptenes. These are compounds containing a dibenzocycloheptene moiety, which consists of two benzene rings connected by a cycloheptene ring.
Kingdom
Organic compounds
Super Class
Benzenoids
Class
Dibenzocycloheptenes
Sub Class
Not Available
Direct Parent
Dibenzocycloheptenes
Alternative Parents
Tropane alkaloids / Piperidines / N-alkylpyrrolidines / Trialkylamines / Dialkyl ethers / Azacyclic compounds / Organopnictogen compounds / Hydrocarbon derivatives
Substituents
Amine / Aromatic heteropolycyclic compound / Azacycle / Dialkyl ether / Dibenzocycloheptene / Ether / Hydrocarbon derivative / N-alkylpyrrolidine / Organic nitrogen compound / Organic oxygen compound
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
azabicycloalkane, ether (CHEBI:50189)
Affected organisms
Not Available

Chemical Identifiers

UNII
AY31301GKG
CAS number
604-51-3
InChI Key
ZWPODSUQWXAZNC-PMOLBWCYSA-N
InChI
InChI=1S/C23H27NO/c1-24-18-12-13-19(24)15-20(14-18)25-23-21-8-4-2-6-16(21)10-11-17-7-3-5-9-22(17)23/h2-9,18-20,23H,10-15H2,1H3/t18-,19+,20+
IUPAC Name
(1R,3S,5S)-8-methyl-3-{tricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,12,14-hexaen-2-yloxy}-8-azabicyclo[3.2.1]octane
SMILES
CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC1C2=CC=CC=C2CCC2=C1C=CC=C2

References

General References
Not Available
ChemSpider
16735768
BindingDB
50419751
ChEBI
50189
ChEMBL
CHEMBL1946186
ZINC
ZINC000100079325
Wikipedia
Deptropine

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount

Pharmacoeconomics

Manufacturers
Not Available
Packagers
Not Available
Dosage Forms
FormRouteStrength
Tablet
Prices
Not Available
Patents
Not Available

Properties

State
Not Available
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
Water Solubility0.000588 mg/mLALOGPS
logP5.05ALOGPS
logP4.75Chemaxon
logS-5.8ALOGPS
pKa (Strongest Basic)9.55Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count2Chemaxon
Hydrogen Donor Count0Chemaxon
Polar Surface Area12.47 Å2Chemaxon
Rotatable Bond Count2Chemaxon
Refractivity102.52 m3·mol-1Chemaxon
Polarizability38.69 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/MSsplash10-001l-0509000000-4d07ba729c9bc7abb7b7
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-001i-0109000000-55a16a3227d0f9a258cc
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-001i-0219000000-92790f4b4480d724c5b8
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-0006-1903000000-bcba6d4ddb9b5071ec64
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-0537-1911000000-04a86e322ef51342c083
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-001i-0911000000-5b975c9ed0ffe91286ed
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]-172.24489
predicted
DeepCCS 1.0 (2019)
[M+H]+174.64046
predicted
DeepCCS 1.0 (2019)
[M+Na]+181.22021
predicted
DeepCCS 1.0 (2019)

Drug created at June 23, 2017 20:42 / Updated at February 21, 2021 18:54