Hydrochlorothiazide Impurity C - ≥95% , CAS No.402824-96-8

CAS: 402824-96-8 Cat. No.: H355663 Formule: C₁₅H₁₆Cl₂N₆O₈S₄ Poids moléculaire: 607.49 Numéro CE: 887-002-2

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

Vue d’ensemble

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

Specifications

Synonymes

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

Spécifications et pureté

≥95%

Conditions de stockage de stockage

Protected from light,Store at -20°C

Expédié en

Ice chest + Ice pads

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Pureté

≥95%

Noms et identifiants

• Pubchem Sid: 504769922
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504769922
• Sourires canoniques: 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)
• Isomères 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
• Poids moléculaire: 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
    • Classe Thiadiazines
      • Subclass Benzothiadiazines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: 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
• Description: 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

Propriétés chimiques et physiques

• Solubilité: Soluble in Acetonitrile and DMSO
• Sensibilité: Light sensitive
• Indice de réfraction: n20D1.67 (Predicted)
• Point d'ébullition (°C): ~930.94° C at 760 mmHg (Predicted)
• Point de fusion (°C): 275-281° C
• Poids moléculaire: 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