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Gallamine

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

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Identification

Generic Name
Gallamine
DrugBank Accession Number
DB13584
Background

Not Available

Type
Small Molecule
Groups
Experimental
Structure
Similar Structures
Weight
Average: 423.642
Monoisotopic: 423.346092321
Chemical Formula
C24H45N3O3
Synonyms
Not Available
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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
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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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1,2-BenzodiazepineThe risk or severity of CNS depression can be increased when 1,2-Benzodiazepine is combined with Gallamine.
AcetazolamideThe risk or severity of CNS depression can be increased when Acetazolamide is combined with Gallamine.
AcetophenazineThe risk or severity of CNS depression can be increased when Acetophenazine is combined with Gallamine.
AcetyldigitoxinThe risk or severity of Cardiac Arrhythmia can be increased when Gallamine is combined with Acetyldigitoxin.
AclidiniumThe risk or severity of adverse effects can be increased when Aclidinium is combined with Gallamine.
Food Interactions
Not Available

Categories

ATC Codes
M03AC02 — Gallamine
Drug Categories
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as phenol ethers. These are aromatic compounds containing an ether group substituted with a benzene ring.
Kingdom
Organic compounds
Super Class
Benzenoids
Class
Phenol ethers
Sub Class
Not Available
Direct Parent
Phenol ethers
Alternative Parents
Phenoxy compounds / Alkyl aryl ethers / Trialkylamines / Organopnictogen compounds / Hydrocarbon derivatives
Substituents
Alkyl aryl ether / Amine / Aromatic homomonocyclic compound / Ether / Hydrocarbon derivative / Monocyclic benzene moiety / Organic nitrogen compound / Organic oxygen compound / Organonitrogen compound / Organooxygen compound
Molecular Framework
Aromatic homomonocyclic compounds
External Descriptors
tertiary amine (CHEBI:503442)
Affected organisms
Not Available

Chemical Identifiers

UNII
1146X1WTNM
CAS number
153-76-4
InChI Key
ICLWTJIMXVISSR-UHFFFAOYSA-N
InChI
InChI=1S/C24H45N3O3/c1-7-25(8-2)16-19-28-22-14-13-15-23(29-20-17-26(9-3)10-4)24(22)30-21-18-27(11-5)12-6/h13-15H,7-12,16-21H2,1-6H3
IUPAC Name
(2-{2,3-bis[2-(diethylamino)ethoxy]phenoxy}ethyl)diethylamine
SMILES
CCN(CC)CCOC1=CC=CC(OCCN(CC)CC)=C1OCCN(CC)CC

References

General References
Not Available
ChemSpider
60750
RxNav
4638
ChEBI
503442
ZINC
ZINC000005650070
PharmGKB
PA164745088
Wikipedia
Gallamine_triethiodide

Clinical Trials

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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 Solubility0.134 mg/mLALOGPS
logP4.55ALOGPS
logP3.7Chemaxon
logS-3.5ALOGPS
pKa (Strongest Basic)9.71Chemaxon
Physiological Charge3Chemaxon
Hydrogen Acceptor Count6Chemaxon
Hydrogen Donor Count0Chemaxon
Polar Surface Area37.41 Å2Chemaxon
Rotatable Bond Count18Chemaxon
Refractivity128 m3·mol-1Chemaxon
Polarizability51.53 Å3Chemaxon
Number of Rings1Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterNoChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleNoChemaxon
Predicted ADMET Features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
Predicted GC-MS Spectrum - GC-MSPredicted GC-MSsplash10-059i-9005200000-b9e8698036d4e0b14612
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-0uk9-0409800000-334a77a206ce94248b13
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-00di-0092200000-679afeabdff210a134b1
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-0pi0-9143200000-6940ea72b1d1415d723a
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-00di-0090000000-d94851ddcd31f7086f2e
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-0udi-9601000000-ae5977132133319d3d21
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-0fk9-0090000000-698751f517dbb111649e
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]-213.5289231
predicted
DarkChem Lite v0.1.0
[M-H]-197.04063
predicted
DeepCCS 1.0 (2019)
[M+H]+214.4673231
predicted
DarkChem Lite v0.1.0
[M+H]+199.40956
predicted
DeepCCS 1.0 (2019)
[M+Na]+214.5227231
predicted
DarkChem Lite v0.1.0
[M+Na]+206.3065
predicted
DeepCCS 1.0 (2019)

Drug created at June 23, 2017 20:44 / Updated at June 12, 2020 16:53