Procaine merethoxylline

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

Identification

Generic Name
Procaine merethoxylline
DrugBank Accession Number
DB09364
Background

Not Available

Type
Small Molecule
Groups
Approved
Structure
Weight
Average: 764.24
Monoisotopic: 765.254923
Chemical Formula
C28H41HgN3O9
Synonyms
  • Merethoxylline procaine

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.
Not Available
Food Interactions
Not Available

Categories

Drug Categories
Not Available
Classification
Not classified
Affected organisms
Not Available

Chemical Identifiers

UNII
O77D636VYN
CAS number
60064-28-0
InChI Key
XRCLWOYOVQUZLE-UHFFFAOYSA-M
InChI
InChI=1S/C15H20NO6.C13H20N2O2.Hg.H2O/c1-11(21-8-7-20-2)9-16-15(19)12-5-3-4-6-13(12)22-10-14(17)18;1-3-15(4-2)9-10-17-13(16)11-5-7-12(14)8-6-11;;/h3-6,11H,1,7-10H2,2H3,(H,16,19)(H,17,18);5-8H,3-4,9-10,14H2,1-2H3;;1H2/q;;+1;/p-1
IUPAC Name
mercury(1+) 2-(diethylamino)ethyl 4-aminobenzoate 3-({[2-(carboxymethoxy)phenyl](hydroxy)methylidene}amino)-2-(2-methoxyethoxy)propyl hydrate
SMILES
O.[Hg+].CCN(CC)CCOC(=O)C1=CC=C(N)C=C1.[CH2]C(CN=C(O)C1=CC=CC=C1OCC([O-])=O)OCCOC

References

General References
Not Available
ChemSpider
21243345
Wikipedia
Procaine_merethoxylline

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 Solubility3.43 mg/mLALOGPS
logP1.12ALOGPS
logP0.83Chemaxon
logS-2.2ALOGPS
pKa (Strongest Acidic)2.99Chemaxon
pKa (Strongest Basic)3.71Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count7Chemaxon
Hydrogen Donor Count1Chemaxon
Polar Surface Area100.41 Å2Chemaxon
Rotatable Bond Count17Chemaxon
Refractivity89.12 m3·mol-1Chemaxon
Polarizability31.96 Å3Chemaxon
Number of Rings2Chemaxon
Bioavailability0Chemaxon
Rule of FiveNoChemaxon
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 November 30, 2015 19:10 / Updated at June 12, 2020 16:52