Rimeporide - Moligand™,≥98% , CAS No.187870-78-6

CAS: 187870-78-6 Cat. No.: R412316 Molecular Weight: 333.38

GRADE & PURITY Moligand™, ≥98%

Synonyms

N-diaminomethylene-2-methyl-4,5-di(methylsulfonyl)benzamide | D80911 | EMD-87580 pound>>EMD 87580 pound>>EMD87580 | AKOS037515659 | Rimeporide [INN] | Rimeporide free base | N-(diaminomethylidene)-2-methyl-4,5-bis(methylsulfonyl)benzamide | N-(4,5-bismeth

Storage

Protected from light,Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

Information

Rimeporide (EMD-87580) is a potent and selective Na+/H+ exchanger (NHE-1) inhibitor.

Specifications

Synonyms

N-diaminomethylene-2-methyl-4, 5-di(methylsulfonyl)benzamide | D80911 | EMD-87580 pound>>EMD 87580 pound>>EMD87580 | AKOS037515659 | Rimeporide [INN] | Rimeporide free base | N-(diaminomethylidene)-2-methyl-4, 5-bis(methylsulfonyl)benzamide | N-(4, 5-bismeth

Specifications & Purity

Moligand™, ≥98%

Biochemical and Physiological Mechanisms

Rimeporide (EMD-87580) is a potent and selective Na+/H+ exchanger (NHE-1) inhibitor.

Storage

Protected from light, Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Grade

Moligand™

Action Type

INHIBITOR

Purity

≥98%

Names and Identifiers

• Canonical Smiles: CC1=CC(=C(C=C1C(=O)N=C(N)N)S(=O)(=O)C)S(=O)(=O)C
• IUPAC Name: N-(diaminomethylidene)-2-methyl-4,5-bis(methylsulfonyl)benzamide
• InChIKey: GROMEQPXDKRRIE-UHFFFAOYSA-N
• 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)
• Isomeric SMILES: CC1=CC(=C(C=C1C(=O)N=C(N)N)S(=O)(=O)C)S(=O)(=O)C
• Alternate CAS: 187870-95-7
• Molecular Weight: 333.38

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Benzoic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Benzoic acids and derivatives
• Intermediate Tree Nodes: Not available
• 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 Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzoic acid or derivatives - Toluamide - Benzenesulfonyl group - O-toluamide - Benzoyl - Acylguanidine - Toluene - Sulfonyl - Sulfone - Guanidine - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboximidamide - Carboxylic acid derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Aromatic homomonocyclic compound
• 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.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Molecular Weight: 333.400 g/mol
• XLogP3: -0.300
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 333.045 Da
• Monoisotopic Mass: 333.045 Da
• Topological Polar Surface Area: 167.000 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 638.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1