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

CAS: 402824-96-8 Cat. No.: H355663 分子式: C₁₅H₁₆Cl₂N₆O₈S₄ 分子量: 607.49 EC番号: 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

概要

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

Specifications

同義語

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

仕様と純度

≥95%

保管条件

Protected from light,Store at -20°C

入荷

Ice chest + Ice pads

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

純度

≥95%

名前と識別子

• パブケム・シド: 504769922
• パブケム・シド・ウル: https://pubchem.ncbi.nlm.nih.gov/substance/504769922
• カノニカル・スマイル: 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)
• 異性体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
• 分子量: 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
    • 分類 Thiadiazines
      • Subclass Benzothiadiazines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 分類: 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
• 説明: 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

化学的性質と物理的性質

• 溶解度: Soluble in Acetonitrile and DMSO
• 感度: Light sensitive
• 屈折率: n20D1.67 (Predicted)
• 沸点（°C）: ~930.94° C at 760 mmHg (Predicted)
• 融点（°C）: 275-281° C
• 分子量: 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