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Rimeporide , CAS No.187870-78-6
Basic Description
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
Biochemical and Physiological Mechanisms
Rimeporide (EMD-87580) is a potent and selective Na+/H+ exchanger (NHE-1) inhibitor.
Storage Temp
Store at -20°C
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Product Description
Information
Rimeporide (EMD-87580) is a potent and selective Na+/H+ exchanger (NHE-1) inhibitor.
Taxonomic Classification
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.
Names and Identifiers
IUPAC Name
N-(diaminomethylidene)-2-methyl-4,5-bis(methylsulfonyl)benzamide
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)
InChIKey
GROMEQPXDKRRIE-UHFFFAOYSA-N
Smiles
CC1=CC(=C(C=C1C(=O)N=C(N)N)S(=O)(=O)C)S(=O)(=O)C
Isomeric SMILES
CC1=CC(=C(C=C1C(=O)N=C(N)N)S(=O)(=O)C)S(=O)(=O)C
PubChem CID
9799487
Molecular Weight
333.38
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
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
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