NAV

Rimazolium

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

Identification

Generic Name
Rimazolium
DrugBank Accession Number
DB13289
Background

Rimazolium is an experimental analgesic drug 1.

Type
Small Molecule
Groups
Experimental
Structure
3D
Similar Structures
Weight
Average: 251.305
Monoisotopic: 251.1390189
Chemical Formula
C13H19N2O3
Synonyms
Not Available
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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

ATC Codes
N02BG02 — Rimazolium
Drug Categories
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as pyridopyrimidines. These are compounds containing a pyridopyrimidine, which consists of a pyridine fused to a pyrimidine. Pyridine is 6-membered ring consisting of five carbon atoms and a nitrogen atom. Pyrimidine is a 6-membered ring consisting of four carbon atoms and two nitrogen centers at the 1- and 3- ring positions.
Kingdom
Organic compounds
Super Class
Organoheterocyclic compounds
Class
Pyridopyrimidines
Sub Class
Not Available
Direct Parent
Pyridopyrimidines
Alternative Parents
Pyrimidinecarboxylic acids / Pyrimidones / Pyridines and derivatives / Vinylogous amides / Heteroaromatic compounds / Lactams / Carboxylic acid esters / Monocarboxylic acids and derivatives / Azacyclic compounds / Organopnictogen compounds
show 5 more
Substituents
Aromatic heteropolycyclic compound / Azacycle / Carboxylic acid derivative / Carboxylic acid ester / Heteroaromatic compound / Hydrocarbon derivative / Lactam / Monocarboxylic acid or derivatives / Organic cation / Organic nitrogen compound
show 12 more
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
967Y95129A
CAS number
35615-72-6
InChI Key
JOWRFSPJFXLGGY-UHFFFAOYSA-N
InChI
InChI=1S/C13H19N2O3/c1-4-18-13(17)10-8-14(3)11-7-5-6-9(2)15(11)12(10)16/h8-9H,4-7H2,1-3H3/q+1
IUPAC Name
3-(ethoxycarbonyl)-1,6-dimethyl-4-oxo-4H,6H,7H,8H,9H-pyrido[1,2-a]pyrimidin-1-ium
SMILES
CCOC(=O)C1=C[N+](C)=C2CCCC(C)N2C1=O

References

General References
  1. Furst S, Gyires K, Knoll J: Analgesic profile of rimazolium as compared to different classes of pain killers. Arzneimittelforschung. 1988 Apr;38(4):552-7. [Article]
ChemSpider
64949
ChEBI
135025
ChEMBL
CHEMBL1182743
Wikipedia
Rimazolium

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 Solubility0.554 mg/mLALOGPS
logP-1.2ALOGPS
logP-2.4Chemaxon
logS-2.7ALOGPS
pKa (Strongest Basic)-7.3Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count2Chemaxon
Hydrogen Donor Count0Chemaxon
Polar Surface Area49.62 Å2Chemaxon
Rotatable Bond Count3Chemaxon
Refractivity77.87 m3·mol-1Chemaxon
Polarizability27.18 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
SpectrumSpectrum TypeSplash Key
Predicted GC-MS Spectrum - GC-MSPredicted GC-MSsplash10-004i-9470000000-701207ebf49da24c9e29
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]-156.85803
predicted
DeepCCS 1.0 (2019)
[M+H]+159.21606
predicted
DeepCCS 1.0 (2019)
[M+Na]+165.30934
predicted
DeepCCS 1.0 (2019)

Drug created at June 23, 2017 20:39 / Updated at June 12, 2020 16:53