Rimeporide

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

Identification

Generic Name
Rimeporide
DrugBank Accession Number
DB12861
Background

Rimeporide has been used in trials studying the treatment of Muscular Dystrophy, Duchenne.

Type
Small Molecule
Groups
Investigational
Structure
Weight
Average: 333.38
Monoisotopic: 333.045312943
Chemical Formula
C11H15N3O5S2
Synonyms
  • Rimeporide

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.
Not Available
Food Interactions
Not Available

Categories

Drug Categories
Not Available
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as benzoic acids and derivatives. These are organic compounds containing a carboxylic acid substituent attached to a benzene ring.
Kingdom
Organic compounds
Super Class
Benzenoids
Class
Benzene and substituted derivatives
Sub Class
Benzoic acids and derivatives
Direct Parent
Benzoic acids and derivatives
Alternative Parents
o-Toluamides / Benzenesulfonyl compounds / Benzoyl derivatives / Acylguanidines / Sulfones / Propargyl-type 1,3-dipolar organic compounds / Carboxylic acids and derivatives / Carboximidamides / Organooxygen compounds / Organic oxides
show 1 more
Substituents
Acylguanidine / Aromatic homomonocyclic compound / Benzenesulfonyl group / Benzoic acid or derivatives / Benzoyl / Carboximidamide / Carboxylic acid derivative / Guanidine / Hydrocarbon derivative / O-toluamide
show 12 more
Molecular Framework
Aromatic homomonocyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
QH6B4V5743
CAS number
187870-78-6
InChI Key
GROMEQPXDKRRIE-UHFFFAOYSA-N
InChI
InChI=1S/C11H15N3O5S2/c1-6-4-8(20(2,16)17)9(21(3,18)19)5-7(6)10(15)14-11(12)13/h4-5H,1-3H3,(H4,12,13,14,15)
IUPAC Name
N-carbamimidoyl-4,5-dimethanesulfonyl-2-methylbenzamide
SMILES
CC1=CC(=C(C=C1C(=O)NC(N)=N)S(C)(=O)=O)S(C)(=O)=O

References

General References
Not Available
PubChem Compound
9799487
PubChem Substance
347829020
ChemSpider
7975252
ChEMBL
CHEMBL2107802
ZINC
ZINC000003951217
Wikipedia
Rimeporide

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
1CompletedTreatmentDuchenne Muscular Dystrophy (DMD)1

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 Solubility0.157 mg/mLALOGPS
logP-0.2ALOGPS
logP-1.3Chemaxon
logS-3.3ALOGPS
pKa (Strongest Acidic)10.08Chemaxon
pKa (Strongest Basic)6.98Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count7Chemaxon
Hydrogen Donor Count3Chemaxon
Polar Surface Area147.25 Å2Chemaxon
Rotatable Bond Count3Chemaxon
Refractivity89.02 m3·mol-1Chemaxon
Polarizability31.39 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-MSsplash10-0udm-3491000000-6a508f47f0f902b622db
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-001i-0019000000-4528057549f552e5a6f3
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-000x-0096000000-6831c3dc9334d6b1e66b
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-014i-0039000000-30dd501c744567dfda70
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-0002-1095000000-a1a4a0aad0240105ab92
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-004i-9020000000-a9f47db5e957025e637e
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-009t-2961000000-eac4be3c061ea837f65c
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]-168.22154
predicted
DeepCCS 1.0 (2019)
[M+H]+170.57954
predicted
DeepCCS 1.0 (2019)
[M+Na]+177.56279
predicted
DeepCCS 1.0 (2019)

Drug created at October 21, 2016 00:48 / Updated at February 21, 2021 18:54