CAS 40180-04-9|Tienilic acid
Introduction：Basic information about CAS 40180-04-9|Tienilic acid, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | Tienilic acid | ||
|---|---|---|---|
| CAS Number | 40180-04-9 | Molecular Weight | 331.17 |
| Density | 1.5±0.1 g/cm3 | Boiling Point | 534.6±50.0 °C at 760 mmHg |
| Molecular Formula | C13H8Cl2O4S | Melting Point | 148-149ºC |
| MSDS | ChineseUSA | Flash Point | 277.1±30.1 °C |
Names
| Name | tienilic acid |
|---|---|
| Synonym | More Synonyms |
Tienilic acid BiologicalActivity
| Description | Tienilic acid is a uricosuric diuretic. Tienilic acid possesses certain hepatotoxicity[1][3]. |
|---|---|
| Related Catalog | Signaling Pathways >>Others >>OthersResearch Areas >>Metabolic Disease |
| In Vivo | Tienilic acid (100 mg/lg in rats and mice, 5 mg/kg in pigs and dog; PO and IV; single dosage) is only found in plasma, eliminates by the biliary and the urinary fast, and exhibits small differences in the different species[2]. Tienilic acid (0-480 mg/kg; PO; for 28 days) decreases blood pressure, serum, uric acid hemoglobin, and increased S-GPT; induces unicellular necrosis of small groups of liver cells[3]. Animal Model: Rats, mice, pigs and dogs[2] Dosage: 100 mg/lg in rats and mice, 5 mg/kg in pigs and dogs Administration: PO and IV; single dosage Result: Only found in plasma with important bindings to the plasma proteins at the blood level; pharmacological action for several hours; eliminated by the biliary and particularly the urinary fast, practically total in the first 48 hours after administration; only small differences were observed for the parameters measured in the different species. Animal Model: Female and male Sprague-Dawley rats[3] Dosage: 0, 30, 120 and 480 mg/kg Administration: PO; for 28 days Result: Decreased blood pressure and serum uric acid at 30 mg/kg; decreased slightly hemoglobin and increased S-GPT at 120 and 480 mg/kg; significantly increase the liver weight and serum magnesium concentration in male rats, while the liver weight of female rats increased only slightly; besides, induced unicellular necrosis of small groups of liver cells. |
| References | [1]. Lemieux G, et al, Baverel G. Metabolic effects in man of tienilic acid, a new diuretic with uricosuric properties. Nephron. 1978;20(1):54-64. [2]. Levron, J.C., et al. Pharmacokinetic study of 2,3-dichloro 4- (2-thienyl keto14C) phenoxyacetic acid (tienilic acid) in animals. European Journal of Drug Metabolism and Pharmacokinetics 2, 107–120 (1977). [3]. Oker-Blom C, et al. Toxicological studies on tienilic acid in rats. Toxicol Lett. 1980;6(2):93-99. |
Chemical & Physical Properties
| Density | 1.5±0.1 g/cm3 |
|---|---|
| Boiling Point | 534.6±50.0 °C at 760 mmHg |
| Melting Point | 148-149ºC |
| Molecular Formula | C13H8Cl2O4S |
| Molecular Weight | 331.17 |
| Flash Point | 277.1±30.1 °C |
| Exact Mass | 329.952026 |
| PSA | 91.84000 |
| LogP | 3.07 |
| Vapour Pressure | 0.0±1.5 mmHg at 25°C |
| Index of Refraction | 1.632 |
| InChIKey | AGHANLSBXUWXTB-UHFFFAOYSA-N |
| SMILES | O=C(O)COc1ccc(C(=O)c2cccs2)c(Cl)c1Cl |
| Storage condition | -20°C |
Toxicological Information
CHEMICAL IDENTIFICATION |
ACUTE TOXICITY DATA - TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Human - man
- DOSE/DURATION :
- 3571 ug/kg
- TOXIC EFFECTS :
- Kidney, Ureter, Bladder - changes in tubules (including acute renal failure, acute tubular necrosis) Kidney, Ureter, Bladder - urine volume decreased
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Human - man
- DOSE/DURATION :
- 6666 ug/kg
- TOXIC EFFECTS :
- Kidney, Ureter, Bladder - changes in tubules (including acute renal failure, acute tubular necrosis)
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Human - woman
- DOSE/DURATION :
- 5 mg/kg
- TOXIC EFFECTS :
- Gastrointestinal - nausea or vomiting Kidney, Ureter, Bladder - urine volume decreased
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 1275 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 318 mg/kg
- TOXIC EFFECTS :
- Kidney, Ureter, Bladder - urine volume increased
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 225 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 3360 mg/kg/28D-I
- TOXIC EFFECTS :
- Vascular - BP lowering not characterized in autonomic section Liver - changes in liver weight Blood - changes in serum composition (e.g. TP, bilirubin, cholesterol)
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 6300 mg/kg/14D-I
- TOXIC EFFECTS :
- Liver - other changes Kidney, Ureter, Bladder - other changes Biochemical - Enzyme inhibition, induction, or change in blood or tissue levels - hepatic microsomal mixed oxidase (dealkylation, hydroxylation, etc.)
MUTATION DATA - TYPE OF TEST :
- Mutation in mammalian somatic cells
- TEST SYSTEM :
- Rodent - hamster Lung
- DOSE/DURATION :
- 100 umol/L
- REFERENCE :
- MUREAV Mutation Research. (Elsevier Science Pub. B.V., POB 211, 1000 AE Amsterdam, Netherlands) V.1- 1964- Volume(issue)/page/year: 157,1,1985
- TYPE OF TEST :
- Mutation in mammalian somatic cells
- TEST SYSTEM :
- Rodent - hamster Lung
- DOSE/DURATION :
- 100 umol/L
- REFERENCE :
- MUREAV Mutation Research. (Elsevier Science Pub. B.V., POB 211, 1000 AE Amsterdam, Netherlands) V.1- 1964- Volume(issue)/page/year: 157,1,1985
Safety Information
| Hazard Codes | Xi |
|---|---|
| RIDADR | NONH for all modes of transport |
| RTECS | AG9300000 |
| HS Code | 2934999090 |
Customs
| HS Code | 2934999090 |
|---|---|
| Summary | 2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0% |
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Synonyms
| Tienilic acid |
| (2,3-Dichloro-4-(2-thienylcarbonyl)phenoxy)acetic acid |
| Tienilico acido |
| (2,3-Dichloro-4-(2-thiophenecarbonyl)phenoxy)acetic acid |
| Acidum tienilicum |
| TienilicAcid |
| Selacryn |
| acetic acid, [2,3-dichloro-4-(2-thienylcarbonyl)phenoxy]- |
| Diflurex |
| Ticrynafen Tienylic acid [2,3-Dichloro-4-(2-thienylcarbonyl)phenoxy]-acetic acid |
| [2,3-dichloro-4-(2-thenoyl)phenoxy]acetic acid |
| Acido tienilico |
| Acide tienilique |
| 2,3-dichloro-4-(thien-2-ylcarbonyl)-phenoxyacetic acid |
| [2,3-dichloro-4-(thiophene-2-carbonyl)-phenoxy]-acetic acid |
| [2,3-Dichloro-4-(2-thienylcarbonyl)phenoxy]acetic acid |
| Acetic acid, 2-[2,3-dichloro-4-(2-thienylcarbonyl)phenoxy]- |
| Ticrex |
| {[2,3-dichloro-4-(2-thienylcarbonyl)phenyl]oxy}acetic acid |
| Ticrynafen |
| 2-[2,3-dichloro-4-(thiophene-2-carbonyl)phenoxy]acetic acid |
| Thienylic acid |
| [2,3-dichloro-4-(thiophen-2-ylcarbonyl)phenoxy]acetic acid |
