Details
| Stereochemistry | ACHIRAL |
| Molecular Formula | C6H8ClN3O4S2 |
| Molecular Weight | 285.728 |
| Optical Activity | NONE |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
NC1=CC(Cl)=C(C=C1S(N)(=O)=O)S(N)(=O)=O
InChI
InChIKey=IHJCXVZDYSXXFT-UHFFFAOYSA-N
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)
| Molecular Formula | C6H8ClN3O4S2 |
| Molecular Weight | 285.728 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
Approval Year
Targets
| Primary Target | Pharmacology | Condition | Potency |
|---|---|---|---|
Target ID: CHEMBL205 |
96.0 nM [IC50] | ||
Target ID: CHEMBL4789 |
4.17 µM [IC50] | ||
Target ID: CHEMBL3242 Sources: https://www.ncbi.nlm.nih.gov/pubmed/16039848 |
44.0 nM [Ki] | ||
Target ID: CHEMBL3594 Sources: https://www.ncbi.nlm.nih.gov/pubmed/16039848 |
39.0 nM [Ki] |
PubMed
| Title | Date | PubMed |
|---|---|---|
| Carbonic anhydrase inhibitors. Biphenylsulfonamides with inhibitory action towards the transmembrane, tumor-associated isozymes IX possess cytotoxic activity against human colon, lung and breast cancer cell lines. | 2009-04 |
|
| Detection of urinary markers for thiazide diuretics after oral administration of hydrochlorothiazide and altizide-relevance to doping control analysis. | 2009-03-20 |
|
| Carbonic anhydrase inhibitors: cloning, characterization, and inhibition studies of the cytosolic isozyme III with sulfonamides. | 2007-12-01 |
|
| Carbonic anhydrase inhibitors: cloning and sulfonamide inhibition studies of a carboxyterminal truncated alpha-carbonic anhydrase from Helicobacter pylori. | 2006-04-15 |
|
| Carbonic anhydrase inhibitors: DNA cloning and inhibition studies of the alpha-carbonic anhydrase from Helicobacter pylori, a new target for developing sulfonamide and sulfamate gastric drugs. | 2006-03-23 |
|
| Mass spectrometric behavior of thiazide-based diuretics after electrospray ionization and collision-induced dissociation. | 2002-08-01 |
|
| Isolation of a 2:1 hydrochlorothiazide-formaldehyde adduct impurity in hydrochlorothiazide drug substance by preparative chromatography and characterization by electrospray ionization LC-MS. | 2001-11 |
| Substance Class |
Chemical
Created
by
admin
on
Edited
Mon Mar 31 21:21:07 GMT 2025
by
admin
on
Mon Mar 31 21:21:07 GMT 2025
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| Record UNII |
3A52O8YREJ
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| Record Status |
Validated (UNII)
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| Record Version |
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121-30-2
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m3346
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1057507
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67136
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3A52O8YREJ
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204-463-1
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PARENT -> IMPURITY |
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP
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PARENT -> IMPURITY |
CHROMATOGRAPHIC PURITY (HPLC/UV)
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