Hydrochlorothiazide EP Impurity B - CAS 121-30-2

Name: Hydrochlorothiazide EP Impurity B
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB005121
Product Name:	Hydrochlorothiazide EP Impurity B
CAS:	121-30-2
Synonyms:	1,3-Benzenedisulfonamide, 4-amino-6-chloro-; m-Benzenedisulfonamide, 4-amino-6-chloro-; 1-Amino-5-chloro-2,4-benzenedisulfonamide; 3-Chloro-4,6-disulfamoylaniline; 4-Amino-6-chloro-m-benzenedisulfonamide; 4-Amino-6-chlorobenzene-1,3-disulphonamide; 5-Chloro-2,4-disulfamoylaniline; Chloraminophenamide; Chloroaminophenamide; Idorese; NSC 93772; Salamid; Salamide; Salamide (diuretic); Salmid; Su 5683; USP Benzothiadiazine Related Compound A; Hydrochlorothiazide EP Impurity B; Altizide EP Impurity A

Technical Data

Related CAS:	27907-29-5 (Deleted CAS)
IUPAC Name:	4-amino-6-chlorobenzene-1,3-disulfonamide
Description:	An impurity of Hydrochlorothiazide, a diuretic medication used for the treatment of high blood pressure.
Molecular Weight:	285.73
Molecular Formula:	C6H8ClN3O4S2
Canonical SMILES:	C1=C(C(=CC(=C1Cl)S(=O)(=O)N)S(=O)(=O)N)N
InChI:	InChI=1S/C6H8ClN3O4S2/c7-3-1-4(8)6(16(10,13)14)2-5(3)15(9,11)12/h1-2H,8H2,(H2,9,11,12)(H2,10,13,14)
InChI Key:	IHJCXVZDYSXXFT-UHFFFAOYSA-N
Boiling Point:	614.4±65.0°C at 760 mmHg
Melting Point:	250-255°C
Purity:	≥95%
Density:	1.768±0.06 g/cm3
Solubility:	Soluble in DMSO (Slightly), Methanol (Slightly)
Appearance:	White to Light Brown Solid
Storage:	Store at 2-8°C
MDL:	MFCD00007933
LogP:	3.36040

GHS Hazard Statement:	H311 (20%): Toxic in contact with skin [Danger Acute toxicity, dermal]
Precautionary Statement:	P260, P261, P264, P271, P280, P302+P352, P304+P312, P304+P340, P305+P351+P338, P311, P312, P314, P321, P322, P332+P313, P337+P313, P361, P362, P363, P403+P233, P405, and P501
Signal Word:	Danger

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CN-113121470-A	Preparation method of benzothiadiazine-1, 1-dioxide compound	20210305
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PMID	Publication Date	Title	Journal
22424239	20120412	Molecular cloning, characterization, and inhibition studies of a β-carbonic anhydrase from Malassezia globosa, a potential antidandruff target	Journal of medicinal chemistry
22386980	20120401	Mutation of active site residues Asn67 to Ile, Gln92 to Val and Leu204 to Ser in human carbonic anhydrase II: influences on the catalytic activity and affinity for inhibitors	Bioorganic & medicinal chemistry
22285172	20120215	Cloning, characterization and sulfonamide inhibition studies of an α-carbonic anhydrase from the living fossil sponge Astrosclera willeyana	Bioorganic & medicinal chemistry
21757360	20110815	Inhibition studies of the β-carbonic anhydrases from the bacterial pathogen Salmonella enterica serovar Typhimurium with sulfonamides and sulfamates	Bioorganic & medicinal chemistry
21251841	20110201	A new β-carbonic anhydrase from Brucella suis, its cloning, characterization, and inhibition with sulfonamides and sulfamates, leading to impaired pathogen growth	Bioorganic & medicinal chemistry

Complexity:	451
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	284.9644758
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	7
Hydrogen Bond Donor Count:	3
Isotope Atom Count:	0
Monoisotopic Mass:	284.9644758
Rotatable Bond Count:	2
Topological Polar Surface Area:	163 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.5