Benzthiazide
Benzthiazide structure
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Common Name | Benzthiazide | ||
|---|---|---|---|---|
| CAS Number | 91-33-8 | Molecular Weight | 431.93700 | |
| Density | 1.4176 (rough estimate) | Boiling Point | 680.6 °C at 760 mmHg | |
| Molecular Formula | C15H14ClN3O4S3 | Melting Point | 231-232° (U.S. patent); mp 238-239° (P'an) | |
| MSDS | Chinese USA | Flash Point | 365.4 °C | |
| Symbol |
GHS08 |
Signal Word | Danger | |
Use of BenzthiazideBenzthiazide is a long-acting diuretic[1] and a hypertension agent. Benzthiazide is an inhibitor of carbonic anhydrase 9 (CA9), with Kis of 8.0, 8.8 and 10 nM for CA9, CA2 and CA1, respectively. Benzthiazide also suppresses proliferation of cancer cells[2]. |
Summary: Benzthiazide (C15H14ClN3O4S3), CAS 91-33-8, molecular weight 431.94, melting point 231-232°C. For research-use only, not for medical or clinical usage.
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | benzthiazide |
|---|---|
| Synonym | More Synonyms |
This table contains bioactivity, target information and biological‑assay experimental data of this compound.
| Description | Benzthiazide is a long-acting diuretic[1] and a hypertension agent. Benzthiazide is an inhibitor of carbonic anhydrase 9 (CA9), with Kis of 8.0, 8.8 and 10 nM for CA9, CA2 and CA1, respectively. Benzthiazide also suppresses proliferation of cancer cells[2]. |
|---|---|
| Related Catalog | |
| Target |
Ki: 8.0 nM (CA9), 8.8 nM (CA2), 10 nM (CA1)[2] |
| In Vitro | Benzthiazide (0.4, 2, 10 μM) suppresses proliferation of cancer cell under hypoxic conditions in a dose-dependent manner . Benzthiazide is an inhibitor of carbonic anhydrase 9 (CA9), with Kis of 8.0, 8.8 and 10 nM for CA9, CA2 and CA1, respectively[2]. |
| In Vivo | Benzthiazide (1, 1.5 mg/100 g BW) causes a marked decrease in urinary calcium excretion and the dissociation of calcium and sodium excretion in hyperprolactinemic rats[1]. |
| References |
This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.
| Density | 1.4176 (rough estimate) |
|---|---|
| Boiling Point | 680.6 °C at 760 mmHg |
| Melting Point | 231-232° (U.S. patent); mp 238-239° (P'an) |
| Molecular Formula | C15H14ClN3O4S3 |
| Molecular Weight | 431.93700 |
| Flash Point | 365.4 °C |
| Exact Mass | 430.98300 |
| PSA | 160.75000 |
| LogP | 4.86900 |
| Index of Refraction | 1.6100 (estimate) |
| InChIKey | NDTSRXAMMQDVSW-UHFFFAOYSA-N |
| SMILES | NS(=O)(=O)c1cc2c(cc1Cl)NC(CSCc1ccccc1)=NS2(=O)=O |
This table provides MSDS information including hazard classification, first‑aid, fire‑fighting, spill handling, operation and storage instructions.
This table summarizes toxicological test data, acute & chronic toxicity and ecological hazard parameters for this chemical.
CHEMICAL IDENTIFICATION
HEALTH HAZARD DATAACUTE TOXICITY DATA
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This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| Symbol |
GHS08 |
|---|---|
| Signal Word | Danger |
| Hazard Statements | H317-H334 |
| Precautionary Statements | P261-P280-P342 + P311 |
| Hazard Codes | Xn |
| Risk Phrases | 42/43 |
| Safety Phrases | 26-36 |
| RIDADR | NONH for all modes of transport |
| WGK Germany | 2 |
| RTECS | DK8400000 |
| HS Code | 2935009090 |
This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| HS Code | 2935009090 |
|---|---|
| Summary | 2935009090 other sulphonamides VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:35.0% |
This table lists relevant public references with title, journal and publication metadata for this compound.
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Interactions of diuretics with a neutral temperature-responsive polymer: study by capillary electroporesis and dynamic light scattering.
J. Capill. Electrophor. Microchip Technol. 6(5-6) , 163-8, (1999) Interactions between diuretics and a recently synthesized temperature-responsive neutral copolymer, poly(N-isopropyl acrylamide) (PNIPA) grafted with poly(ethyleneoxide) (PEO) (PNIPA-g-PEO) were inves... |
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Rational drug repositioning guided by an integrated pharmacological network of protein, disease and drug.
BMC Syst. Biol. 6 , 80, (2012) The process of drug discovery and development is time-consuming and costly, and the probability of success is low. Therefore, there is rising interest in repositioning existing drugs for new medical i... |
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Rapid screening for diuretic doping agents in urine by C60-assisted laser-desorption-ionization-time-of-flight mass spectrometry.
J. Anal. Toxicol. 23(5) , 337-42, (1999) This study describes a matrix-assisted laser-desorption-ionization (MALDI) mass spectrometry for rapid screening of 12 diuretics in spiked urine. C60 is used as the matrix for MALDI. Diuretics are dir... |
This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| Lemazide |
| benzotiazide |
| Exna |
| Benzothiazide |
| 3-(benzylsulfanylmethyl)-6-chloro-1,1-dioxo-4H-1λ<sup>6</sup>,2,4-benzothiadiazine-7-sulfonamide |
| Benzthiazidum |
| EINECS 202-061-0 |
| MFCD00078969 |
| Freeuril |
| Aquatag |
| Dihydrex |
| Diucen |
| Benzotiazida |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What English synonyms does benzthiazide have? |
| A: English synonyms of benzthiazide: Lemazide, benzotiazide, Exna, Benzothiazide, 3-(benzylsulfanylmethyl)-6-chloro-1,1-dioxo-4H-1λ6,2,4-benzothiadiazine-7-sulfonamide, Benzthiazidum, EINECS 202-061-0, MFCD00078969, Freeuril, Aquatag, Dihydrex, Diucen, Benzotiazida. |
| Q: What is the polar surface area (PSA) of benzthiazide? |
| A: Polar surface area (PSA) of benzthiazide is 160.75000. |
| Q: What is the safety information for benzthiazide? |
| A: Safety information for benzthiazide: 26-36. |
| Q: What is the boiling point of benzthiazide? |
| A: Boiling point of benzthiazide is 680.6 °C at 760 mmHg. |
| Q: What is the SMILES notation of benzthiazide? |
| A: SMILES notation of benzthiazide is NS(=O)(=O)c1cc2c(cc1Cl)NC(CSCc1ccccc1)=NS2(=O)=O. |
| Q: What is the melting point of benzthiazide? |
| A: Melting point of benzthiazide is 231-232° (U.S. patent); mp 238-239° (P'an). |
| Q: What is the InChIKey of benzthiazide? |
| A: InChIKey of benzthiazide is NDTSRXAMMQDVSW-UHFFFAOYSA-N. |
| Q: What is the LogP of benzthiazide? |
| A: LogP of benzthiazide is 4.86900. |
| Q: What is the molecular formula of benzthiazide? |
| A: Molecular formula of benzthiazide is C15H14ClN3O4S3. |
| Q: What are the uses of benzthiazide? |
| A: Main uses of benzthiazide: Benzthiazide is a long-acting diuretic[1] and a hypertension agent. Benzthiazide is an inhibitor of carbonic anhydrase 9 (CA9), with Kis of 8.0, 8.8 and 10 nM for CA9, CA2 and CA1, respectively. Benzthiazide also suppresses proliferation of cancer cells[2]. |
This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.
| Shanghai Nianxing Industrial Co., Ltd |
| Dayang Chem (Hangzhou) Co., Ltd. |