Chlorothiazide - Moligand™, ≥98% , Inhibitor of Na-Cl symporter, CAS No.58-94-6, Inhibitor of Na-Cl symporter

CAS: 58-94-6 Cat. No.: C129621 Summenformel: C₇H₆ClN₃O₄S₂ Molekulargewicht: 373.44 EG-Nummer: 200-404-9

GRADE & PURITY Moligand™, ≥98%

Synonyms

6-chloro-1,1-dioxo-2H-1$l^{6},2,4-benzothiadiazine-7-sulfonamide | Spectrum_000134 | 6-chloro-4H-1,2,4-benzothiadiazine-7-sulfonamide 1,1-dioxide | CHLOROTHIAZIDE [VANDF] | Lopac0_000254 | Saluretil | CHLOROTHIAZIDE [USP MONOGRAPH] | Alurene | Chlorothiaz

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Synonyme

6-chloro-1,1-dioxo-2H-1$l^{6},2,4-benzothiadiazine-7-sulfonamide | Spectrum_000134 | 6-chloro-4H-1,2,4-benzothiadiazine-7-sulfonamide 1,1-dioxide | CHLOROTHIAZIDE [VANDF] | Lopac0_000254 | Saluretil | CHLOROTHIAZIDE [USP MONOGRAPH] | Alurene | Chlorothiaz

Spezifikationen & Reinheit

Moligand™, ≥98%

Storage

Store at -20°C

Verschickt in

Ice chest + Ice pads

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Note

Moligand™

Aktionsart

INHIBITOR

Mechanismus der Wirkung

Inhibitor of Na-Cl symporter

Reinheit

≥98%

Namen und Kennungen

Pubchem Sid

508814400

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/508814400

Kanonisches Lächeln

C1=C2C(=CC(=C1Cl)S(=O)(=O)N)S(=O)(=O)N=CN2

IUPAC Name

6-chloro-1,1-dioxo-4H-1λ6,2,4-benzothiadiazine-7-sulfonamide

InChIKey

JBMKAUGHUNFTOL-UHFFFAOYSA-N

INCHI

1S/C7H6ClN3O4S2/c8-4-1-5-7(2-6(4)16(9,12)13)17(14,15)11-3-10-5/h1-3H,(H,10,11)(H2,9,12,13)

Isomere SMILES

C1=C2C(=CC(=C1Cl)S(=O)(=O)N)S(=O)(=O)N=CN2

Molekulargewicht

373.44

Reaxy-Rn

1084805

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1084805&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Thiadiazines
• Subclass: Benzothiadiazines
• Intermediate Tree Nodes: Not available
• Direct Parent: 1,2,4-benzothiadiazine-1,1-dioxides
• Alternative Parents: Organosulfonamides Benzenoids Aryl chlorides Aminosulfonyl compounds Propargyl-type 1,3-dipolar organic compounds Formamidines Azacyclic compounds Organopnictogen compounds Organochlorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 1,2,4-benzothiadiazine-1,1-dioxide - Aryl chloride - Aryl halide - Organosulfonic acid amide - Benzenoid - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Aminosulfonyl compound - Propargyl-type 1,3-dipolar organic compound - Formamidine - Amidine - Organic 1,3-dipolar compound - Azacycle - Organopnictogen compound - Organic nitrogen compound - Organic oxygen compound - Organosulfur compound - Organonitrogen compound - Organochloride - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Aromatic heteropolycyclic compound
• Beschreibung: 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: benzothiadiazine

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

Zugehörige Ziele (menschlich)

SLC12A3 Tclin Solute carrier family 12 member 3 (0 Activities)

Discover Target: SLC12A3

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

Chemische und physikalische Eigenschaften

• Molekulargewicht: 295.700 g/mol
• XLogP3: -0.200
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 1
• Exact Mass: 294.949 Da
• Monoisotopic Mass: 294.949 Da
• Topological Polar Surface Area: 135.000 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 532.000
• 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