CAS Number35711-34-3
SynonymsTolmetin sodium anhydrous; Tolumetin sodium dihydrate; sodium 5-(4-methylbenzoyl)-1-methylpyrrole-2-acetate; sodium 1-methyl-5-(4-methylbenzoyl)pyrrole-2-acetate; EINECS 252-687-3; Toleclin; TOLECTIN 600; 1-methyl-5-(p-toluoyl)-1H-pyrrol-2-acetic acid sodium salt; Sodium tolmetin; Sodium tolmetin dihydrate; sodium,2-[1-methyl-5-(4-methylbenzoyl)pyrrol-2-yl]acetate; Tolectin DS; sodium [1-methyl-5-(p-toluoyl)-1H-pyrrol-2-yl]acetate; TOLMETIN SODIUM
Molecular FormulaC15H14NO3Na · 2H2O
Molecular Weight315.30
Density1.18g/cm3
Boiling Point483.2ºC at 760 mmHg
Melting Point155-157ºC (DECOMPOSES)
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 35711-34-3 |
| Catalog No. | 2A-1197233 |
| Chinese Name | 托美丁钠 |
| Synonyms | Tolmetin sodium anhydrous; Tolumetin sodium dihydrate; sodium 5-(4-methylbenzoyl)-1-methylpyrrole-2-acetate; sodium 1-methyl-5-(4-methylbenzoyl)pyrrole-2-acetate; EINECS 252-687-3; Toleclin; TOLECTIN 600; 1-methyl-5-(p-toluoyl)-1H-pyrrol-2-acetic acid sodium salt; Sodium tolmetin; Sodium tolmetin dihydrate; sodium,2-[1-methyl-5-(4-methylbenzoyl)pyrrol-2-yl]acetate; Tolectin DS; sodium [1-methyl-5-(p-toluoyl)-1H-pyrrol-2-yl]acetate; TOLMETIN SODIUM |
| Molecular Formula | C15H14NO3Na · 2H2O |
| Molecular Weight | 315.30 |
| Density | 1.18g/cm3 |
| Boiling Point | 483.2ºC at 760 mmHg |
| Melting Point | 155-157ºC (DECOMPOSES) |
| Application | Tolmetin sodium is an orally effective COX inhibitor with IC50s of 0.35µM and 0.82µM for human COX-1 and COX-2, respectively. Tolmetin sodium is a nonsteroidal anti-inflammatory drug (NSAID)[1][2]. |
| HTC | 2933990090 |
| PubChem ID | 329751346 |
| MDL Number | MFCD00150761 |
| SMILES | [Na+].[H]O[H].[H]O[H].Cc1ccc(cc1)C(=O)c2ccc(CC([O-])=O)n2C |
| InChI | 1S/C15H15NO3.Na.2H2O/c1-10-3-5-11(6-4-10)15(19)13-8-7-12(16(13)2)9-14(17)18;;;/h3-8H,9H2,1-2H3,(H,17,18);;2*1H2/q;+1;;/p-1 |
| InChI Key | QQILXENAYPUNEA-UHFFFAOYSA-M |
| NACRES Code | NA.24 |
| UNSPSC | 41116107 |
| MSDS | msds/199059_1_35711_34_3.pdf |
| Use of | Tolmetin sodium is an orally active and potent COX inhibitor with IC50s of 0.35 µM and 0.82 µM human COX-1 and COX-2, respectively. Tolmetin sodium is a non-steroidal anti-inflammatory drug (NSAID)[1][2]. Properties Name tolmetin sodium Synonym More Synonyms tolmetin sodium Biological Activity Description Tolmetin sodium is an orally active and potent COX inhibitor with IC50s of 0.35 µM and 0.82 µM human COX-1 and COX-2, respectively. Tolmetin sodium is a non-steroidal anti-inflammatory drug (NSAID)[1][2]. Related Catalog Research Areas >> Cancer Research Areas >> Inflammation/Immunology Signaling Pathways >> Immunology/Inflammation >> COX Human COX-1:0.35 μM (IC50) Human COX-2:0.82 μM (IC50) References [1]. T D Warner, et al. Nonsteroid drug selectivities for cyclo-oxygenase-1 rather than cyclo-oxygenase-2 are associated with human gastrointestinal toxicity: a full in vitro analysis. Proc Natl Acad Sci U S A. 1999 Jun 22;96(13):7563-8. [2]. Etcheverry SB, et al. Three new vanadyl(IV) complexes with non-steroidal anti-inflammatory drugs (Ibuprofen, Naproxen and Tolmetin). Bioactivity on osteoblast-like cells in culture. J Inorg Biochem. 2002 Jan 1;88(1):94-100. [3]. DADAŞ, Yakup, et al. Synthesis and anticancer activity of some novel tolmetin thiosemicarbazides. Marmara Pharmaceutical Journal 19(3) • April 2015 Chemical & Physical Properties Molecular Formula C15H14NNaO3 Exact Mass 279.08700 PSA 62.13000 LogP 0.85690 InChIKey QGUALMNFRILWRA-UHFFFAOYSA-M Toxicological Information CHEMICAL IDENTIFICATION RTECS NUMBER : CHEMICAL NAME : 1H-Pyrrole-2-acetic acid, 1-methyl-5-(p-toluoyl)-, sodium salt CAS REGISTRY NUMBER : 35711-34-3 LAST UPDATED : DATA ITEMS CITED : MOLECULAR FORMULA : C14-H12-N-O3.Na MOLECULAR WEIGHT : WISWESSER LINE NOTATION : T5MJ BVR D1& E1VO &-NA- HEALTH HAZARD DATA ACUTE TOXICITY DATA TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : SPECIES OBSERVED : Human - child DOSE/DURATION : TOXIC EFFECTS : Blood - thrombocytopenia REFERENCE : ARHEAW Arthritis and Rheumatism. (Arthritis Foundation, 1314 Spring St., NW, Atlanta, GA 30309) V.1- 1958- Volume(issue)/page/year: 25,1144,1982 TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : SPECIES OBSERVED : Human - man DOSE/DURATION : TOXIC EFFECTS : Skin and Appendages - dermatitis, allergic (after systemic exposure) REFERENCE : JAMAAP JAMA, Journal of the American Medical Association. (AMA, 535 N. Dearborn St., Chicago, IL 60610) V.1- 1883- Volume(issue)/page/year: 243,1263,1980 TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : SPECIES OBSERVED : DOSE/DURATION : TOXIC EFFECTS : Behavioral - hallucinations, distorted perceptions Vascular - BP lowering not characterized in autonomic section Vascular - shock REFERENCE : JAMAAP JAMA, Journal of the American Medical Association. (AMA, 535 N. Dearborn St., Chicago, IL 60610) V.1- 1883- Volume(issue)/page/year: 240,246,1978 TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : SPECIES OBSERVED : Human - woman DOSE/DURATION : TOXIC EFFECTS : Spinal Cord - meningeal changes Sense Organs and Special Senses (Eye) - conjunctive irritation Liver - liver function tests impaired REFERENCE : JAMAAP JAMA, Journal of the American Medical Association. (AMA, 535 N. Dearborn St., Chicago, IL 60610) V.1- 1883- Volume(issue)/page/year: 245,67,1981 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : SPECIES OBSERVED : Rodent - rat DOSE/DURATION : TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intraperitoneal SPECIES OBSERVED : Rodent - rat DOSE/DURATION : TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : NIIRDN Drugs in Japan (Ethical Drugs). (Yakugyo Jiho Co., Ltd., Tokyo, Japan) Volume(issue)/page/year: 6,532,1982 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Subcutaneous SPECIES OBSERVED : Rodent - rat DOSE/DURATION : TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : NIIRDN Drugs in Japan (Ethical Drugs). (Yakugyo Jiho Co., Ltd., Tokyo, Japan) Volume(issue)/page/year: 6,532,1982 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intravenous SPECIES OBSERVED : Rodent - rat DOSE/DURATION : TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : NIIRDN Drugs in Japan (Ethical Drugs). (Yakugyo Jiho Co., Ltd., Tokyo, Japan) Volume(issue)/page/year: 6,532,1982 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intraperitoneal SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : NIIRDN Drugs in Japan (Ethical Drugs). (Yakugyo Jiho Co., Ltd., Tokyo, Japan) Volume(issue)/page/year: 6,532,1982 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Subcutaneous SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : NIIRDN Drugs in Japan (Ethical Drugs). (Yakugyo Jiho Co., Ltd., Tokyo, Japan) Volume(issue)/page/year: 6,532,1982 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intravenous SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : NIIRDN Drugs in Japan (Ethical Drugs). (Yakugyo Jiho Co., Ltd., Tokyo, Japan) Volume(issue)/page/year: 6,532,1982 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : SPECIES OBSERVED : Mammal - dog DOSE/DURATION : TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : SPECIES OBSERVED : Rodent - hamster DOSE/DURATION : TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : SEX/DURATION : female 1 day(s) pre-mating TOXIC EFFECTS : Reproductive - Fertility - other measures of fertility REFERENCE : FESTAS Fertility and Sterility. (American Fertility Soc., 608 13th Ave. S, Birmingham, AL 35282) V.1- 1950- Volume(issue)/page/year: 38,238,1982 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - X5369 No. of Facilities: 53 (estimated) No. of Industries: 1 No. of Occupations: 1 No. of Employees: 2069 (estimated) No. of Female Employees: 1109 (estimated) Safety Information HS Code 2933990090 Synthetic Route Total: 1 Page Sodium hydroxide CAS#:1310-73-2 methyl 1-methyl... CAS#:33369-52-7 tolmetin sodium CAS#:35711-34-3 |
| Tax Rebate | 13.0% |
| Supervision | None. MFN tariff: 6.5%. Ordinary tariff: 20.0% |
| Transport Info | Product name: Summary 2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0% |
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