GRADE & PURITY ≥95%

Synonyms

DTXSID10193270 | HYDROCHLOROTHIAZIDE IMPURITY, HYDROCHLOROTHIAZIDE DIMER- [USP IMPURITY] | 6-Chloro-4-((6-chloro-1,1-dioxido-3,4-dihydro-2H-benzo[e][1,2,4]thiadiazine-7-sulfonamido)methyl)-3,4-dihydro-2H-benzo[e][1,2,4]thiadiazine-7-sulfonamide 1,1-dioxid

Storage

Protected from light,Store at -20°C

Shipped In

Ice chest + Ice pads

Descripción general

Hydrochlorothiazide Impurity C is an impurity in bulk Hydrochlorothiazide. Dimer Impurity C.

Specifications

Sinónimos

DTXSID10193270 | HYDROCHLOROTHIAZIDE IMPURITY, HYDROCHLOROTHIAZIDE DIMER- [USP IMPURITY] | 6-Chloro-4-((6-chloro-1, 1-dioxido-3, 4-dihydro-2H-benzo[e][1, 2, 4]thiadiazine-7-sulfonamido)methyl)-3, 4-dihydro-2H-benzo[e][1, 2, 4]thiadiazine-7-sulfonamide 1, 1-dioxid

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Protected from light, 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

≥95%

Nombres e identificadores

• Pubchem Sid: 504769922
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504769922
• Sonrisas canónicas: C1NC2=CC(=C(C=C2S(=O)(=O)N1)S(=O)(=O)NCN3CNS(=O)(=O)C4=CC(=C(C=C43)Cl)S(=O)(=O)N)Cl
• IUPAC Name: 6-chloro-4-[[(6-chloro-1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazin-7-yl)sulfonylamino]methyl]-1,1-dioxo-2,3-dihydro-1λ6,2,4-benzothiadiazine-7-sulfonamide
• InChIKey: ARZJHXODDVTRLY-UHFFFAOYSA-N
• INCHI: 1S/C15H16Cl2N6O8S4/c16-8-1-10-14(34(28,29)20-5-19-10)4-13(8)33(26,27)21-6-23-7-22-35(30,31)15-3-12(32(18,24)25)9(17)2-11(15)23/h1-4,19-22H,5-7H2,(H2,18,24,25)
• Isómeros SMILES: C1NC2=CC(=C(C=C2S(=O)(=O)N1)S(=O)(=O)NCN3CNS(=O)(=O)C4=CC(=C(C=C43)Cl)S(=O)(=O)N)Cl
• Peso molecular: 607.49
• Reaxy-Rn: 9101596
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=9101596&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Thiadiazines
      • Subclass Benzothiadiazines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Thiadiazines
• Subclass: Benzothiadiazines
• Intermediate Tree Nodes: Not available
• Direct Parent: 1,2,4-benzothiadiazine-1,1-dioxides
• Alternative Parents: Dialkylarylamines Organosulfonamides Benzenoids Aryl chlorides Aminosulfonyl compounds Azacyclic compounds Organochlorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 1,2,4-benzothiadiazine-1,1-dioxide - Dialkylarylamine - Aryl chloride - Aryl halide - Organosulfonic acid amide - Benzenoid - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Aminosulfonyl compound - Sulfonyl - Azacycle - Hydrocarbon derivative - Organic oxide - Organosulfur compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic oxygen compound - Organic nitrogen compound - Amine - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as 1,2,4-benzothiadiazine-1,1-dioxides. These are aromatic heterocyclic compounds containing a 1,2,4-benzothiadiazine ring system with two S=O bonds at the 1-position.
• 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: Soluble in Acetonitrile and DMSO
• Sensibilidad: Light sensitive
• Índice de refracción: n20D1.67 (Predicted)
• Punto de ebullición (°C): ~930.94° C at 760 mmHg (Predicted)
• Punto de fusión (°C): 275-281° C
• Peso molecular: 607.500 g/mol
• XLogP3: 0.300
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 14
• Rotatable Bond Count: 5
• Exact Mass: 605.929 Da
• Monoisotopic Mass: 605.929 Da
• Topological Polar Surface Area: 247.000 Ų
• Heavy Atom Count: 35
• Formal Charge: 0
• Complexity: 1240.000
• 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