Rimeporide
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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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- 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
- Improve decision support & research outcomesWith structured adverse effects data, including: blackbox warnings, adverse reactions, warning & precautions, & incidence rates. View sample adverse effects data in our new Data Library!Improve decision support & research outcomes with our structured adverse effects data.
- 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
- External Links
- PubChem Compound
- 9799487
- PubChem Substance
- 347829020
- ChemSpider
- 7975252
- ChEMBL
- CHEMBL2107802
- ZINC
- ZINC000003951217
- Wikipedia
- Rimeporide
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 1 Completed Treatment Duchenne 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
Property Value Source Water Solubility 0.157 mg/mL ALOGPS logP -0.2 ALOGPS logP -1.3 Chemaxon logS -3.3 ALOGPS pKa (Strongest Acidic) 10.08 Chemaxon pKa (Strongest Basic) 6.98 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 7 Chemaxon Hydrogen Donor Count 3 Chemaxon Polar Surface Area 147.25 Å2 Chemaxon Rotatable Bond Count 3 Chemaxon Refractivity 89.02 m3·mol-1 Chemaxon Polarizability 31.39 Å3 Chemaxon Number of Rings 1 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon - Predicted ADMET Features
- Not Available
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
Spectrum Spectrum Type Splash Key Predicted GC-MS Spectrum - GC-MS Predicted GC-MS splash10-0udm-3491000000-6a508f47f0f902b622db Predicted MS/MS Spectrum - 10V, Positive (Annotated) Predicted LC-MS/MS splash10-001i-0019000000-4528057549f552e5a6f3 Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS splash10-000x-0096000000-6831c3dc9334d6b1e66b Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS splash10-014i-0039000000-30dd501c744567dfda70 Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS splash10-0002-1095000000-a1a4a0aad0240105ab92 Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS splash10-004i-9020000000-a9f47db5e957025e637e Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS splash10-009t-2961000000-eac4be3c061ea837f65c Predicted 1H NMR Spectrum 1D NMR Not Applicable Predicted 13C NMR Spectrum 1D NMR Not Applicable - Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 168.22154 predictedDeepCCS 1.0 (2019) [M+H]+ 170.57954 predictedDeepCCS 1.0 (2019) [M+Na]+ 177.56279 predictedDeepCCS 1.0 (2019)
Drug created at October 21, 2016 00:48 / Updated at February 21, 2021 18:54