Hydrochlorothiazide EP Impurity B - CAS 121-30-2
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 |
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 |
Publication Number | Title | Priority Date |
CN-113121470-A | Preparation method of benzothiadiazine-1, 1-dioxide compound | 20210305 |
CN-111735892-A | Method for measuring multiple diuretics in animal derived food | 20200624 |
CN-111297812-A | Compound preparation containing losartan potassium and preparation method thereof | 20200225 |
CN-112569241-A | Telmisartan and hydrochlorothiazide double-layer tablet and preparation method thereof | 20190927 |
WO-2020237304-A1 | Antigen-binding molecules that bind the active conformation of platelet integrin receptor gpiib/iiia | 20190527 |
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 |
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