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Chlorothiazide - 98%, high purity , CAS No.58-94-6, Inhibitor of Na-Cl symporter

COA

Grade & Purity:

Moligand™

≥98%

Cas Number: 58-94-6
Molecular Weight: 373.44
PubChem CID: 2720

In stock

Item Number

C129621

Grouped product items
SKU	Size	Availability	Price
C129621-1g	1g	3	$10.90
C129621-5g	5g	2	$30.90
C129621-25g	25g	2	$80.90
C129621-100g	100g	1	$240.90

View related series

Amino Acid/Protein Metabolism (1836) Na-Cl symporter Inhibitor (4)

Basic Description

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
Specifications & Purity	Moligand™, ≥98%
Storage Temp	Store at -20°C
Shipped In	Ice chest + Ice pads This product requires cold chain shipping. Ground and other economy services are not available.
Grade	Moligand™
Action Type	INHIBITOR
Mechanism of action	Inhibitor of Na-Cl symporter

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Thiadiazines
    - Subclass Benzothiadiazines

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	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
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	benzothiadiazine
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

Associated Targets(Human)

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)

Names and Identifiers

IUPAC Name	6-chloro-1,1-dioxo-4H-1λ6,2,4-benzothiadiazine-7-sulfonamide
INCHI	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)
InChIKey	JBMKAUGHUNFTOL-UHFFFAOYSA-N
Smiles	C1=C2C(=CC(=C1Cl)S(=O)(=O)N)S(=O)(=O)N=CN2
Isomeric SMILES	C1=C2C(=CC(=C1Cl)S(=O)(=O)N)S(=O)(=O)N=CN2
Molecular Weight	373.44
Reaxy-Rn	1084805
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1084805&ln=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

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4 results found

Lot Number	Certificate Type	Date	Item
C2307215	Certificate of Analysis	Dec 19, 2024	C129621
C2307225	Certificate of Analysis	Dec 19, 2024	C129621
C2307226	Certificate of Analysis	Dec 19, 2024	C129621
C2307199	Certificate of Analysis	Dec 19, 2024	C129621

Chemical and Physical Properties

Molecular Weight	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 Å²
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

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