Dehydro Indapamide - ≥98% , CAS No.63968-75-2

CAS: 63968-75-2 Cat. No.: D330705 Peso molecular: 363.82 Número EC: 642-143-7

GRADE & PURITY ≥98%

Synonyms

Benzamide, 3-(aminosulfonyl)-4-chloro-N-(2-methyl-1H-indol-1-yl)- | 4-Chloro-N-(2-methyl-1H-indol-1-yl)-3-sulphamoylbenzamide | 4-Chloro-N-(2-methyl-1-indolyl)-3-sulfamoylbenzamide | DTXSID10213806 | 4-Chloro-3-sulfamoyl-N-(2-methyl-1H-indol-1-yl)benzamid

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Descripción general

A metabolite of Indapamide (M5). A dehydrogenation pathway by cytochromes P450.

Specifications

Sinónimos

Benzamide, 3-(aminosulfonyl)-4-chloro-N-(2-methyl-1H-indol-1-yl)- | 4-Chloro-N-(2-methyl-1H-indol-1-yl)-3-sulphamoylbenzamide | 4-Chloro-N-(2-methyl-1-indolyl)-3-sulfamoylbenzamide | DTXSID10213806 | 4-Chloro-3-sulfamoyl-N-(2-methyl-1H-indol-1-yl)benzamid

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Store at -20°C

Enviado en

Ice chest + Ice pads

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 488183354
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488183354
• Sonrisas canónicas: CC1=CC2=CC=CC=C2N1NC(=O)C3=CC(=C(C=C3)Cl)S(=O)(=O)N
• IUPAC Name: 4-chloro-N-(2-methylindol-1-yl)-3-sulfamoylbenzamide
• InChIKey: LWCDXWWLUHMMJI-UHFFFAOYSA-N
• INCHI: 1S/C16H14ClN3O3S/c1-10-8-11-4-2-3-5-14(11)20(10)19-16(21)12-6-7-13(17)15(9-12)24(18,22)23/h2-9H,1H3,(H,19,21)(H2,18,22,23)
• Isómeros SMILES: CC1=CC2=CC=CC=C2N1NC(=O)C3=CC(=C(C=C3)Cl)S(=O)(=O)N
• Peso molecular: 363.82
• Reaxy-Rn: 4567208
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4567208&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Benzenesulfonamides

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Benzenesulfonamides
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzenesulfonamides
• Alternative Parents: 4-halobenzoic acids and derivatives Benzenesulfonyl compounds Indoles Benzoyl derivatives Chlorobenzenes Substituted pyrroles Organosulfonamides Aryl chlorides Aminosulfonyl compounds Heteroaromatic compounds Azacyclic compounds Carboxylic acids and derivatives Hydrocarbon derivatives Organic oxides Organochlorides Organonitrogen compounds Organooxygen compounds Organopnictogen compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Benzenesulfonamide - 4-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzoic acid or derivatives - Benzenesulfonyl group - Indole - Indole or derivatives - Benzoyl - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Substituted pyrrole - Organosulfonic acid amide - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Aminosulfonyl compound - Pyrrole - Sulfonyl - Heteroaromatic compound - Organoheterocyclic compound - Carboxylic acid derivative - Azacycle - Organosulfur compound - Organohalogen compound - Organochloride - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as benzenesulfonamides. These are organic compounds containing a sulfonamide group that is S-linked 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

Propiedades químicas y físicas

• Solubilidad: DMSO (Slightly), Methanol (Slightly, Heated)
• Punto de fusión (°C): >230°C
• Peso molecular: 363.800 g/mol
• XLogP3: 2.900
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 363.044 Da
• Monoisotopic Mass: 363.044 Da
• Topological Polar Surface Area: 103.000 Ų
• Heavy Atom Count: 24
• Formal Charge: 0
• Complexity: 580.000
• 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