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

CAS: 402824-96-8 Cat. No.: H355663 분자식: C₁₅H₁₆Cl₂N₆O₈S₄ 분자량: 607.49 EC 번호: 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

개요

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

Specifications

동의어

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

사양 및 순도

≥95%

보관 조건

Protected from light,Store at -20°C

배송

Ice chest + Ice pads

이 제품은 콜드 체인 배송이 필요합니다.지상 및 기타 경제 서비스는 사용할 수 없습니다.

순수함

≥95%

이름과 식별자

• Pubchem Sid: 504769922
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504769922
• 정식 스마일: 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)
• 이성체 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
• 분자량: 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
    • 분류 Thiadiazines
      • Subclass Benzothiadiazines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 분류: 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
• 설명: 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

화학 및 물리적 특성

• 용해성: Soluble in Acetonitrile and DMSO
• 감도: Light sensitive
• 굴절률: n20D1.67 (Predicted)
• 끓는점(°C): ~930.94° C at 760 mmHg (Predicted)
• 녹는점(°C): 275-281° C
• 분자량: 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