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N,N-dimethyl-N-(2-(((2R,3R,4S,5R,6R)-3,4,5-tris(acetyloxy)-6-((acetyloxy)methyl)oxan-2-yl)oxy)ethyl)cyclopropylammonium

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
N,N-dimethyl-N-(2-(((2R,3R,4S,5R,6R)-3,4,5-tris(acetyloxy)-6-((acetyloxy)methyl)oxan-2-yl)oxy)ethyl)cyclopropylammonium
DrugBank Accession Number
DB18308
Background

Not Available

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 460.499
Monoisotopic: 460.217722719
Chemical Formula
C21H34NO10
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.
Not Available
Food Interactions
Not Available

Categories

Drug Categories
Not Available
Classification
Not classified
Affected organisms
Not Available

Chemical Identifiers

UNII
J6QN4FZ2UG
CAS number
2440155-89-3
InChI Key
FOZFSJHFTYNIRJ-YMQHIKHWSA-N
InChI
InChI=1S/C21H34NO10/c1-12(23)28-11-17-18(29-13(2)24)19(30-14(3)25)20(31-15(4)26)21(32-17)27-10-9-22(5,6)16-7-8-16/h16-21H,7-11H2,1-6H3/q+1/t17-,18+,19+,20-,21-/m1/s1
IUPAC Name
N,N-dimethyl-N-(2-{[(2R,3R,4S,5R,6R)-3,4,5-tris(acetyloxy)-6-[(acetyloxy)methyl]oxan-2-yl]oxy}ethyl)cyclopropanaminium
SMILES
CC(=O)OC[C@H]1O[C@@H](OCC[N+](C)(C)C2CC2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O

References

General References
Not Available
Not Available

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
logP-4.2Chemaxon
pKa (Strongest Basic)-4.1Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count6Chemaxon
Hydrogen Donor Count0Chemaxon
Polar Surface Area123.66 Å2Chemaxon
Rotatable Bond Count14Chemaxon
Refractivity118.42 m3·mol-1Chemaxon
Polarizability47.61 Å3Chemaxon
Number of Rings2Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterNoChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleNoChemaxon
Predicted ADMET Features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
Not Available
Chromatographic Properties
Collision Cross Sections (CCS)
Not Available

Drug created at September 15, 2023 22:28 / Updated at September 17, 2023 04:16