CAS Number41826-92-0
Synonyms2,4,5-Triethoxy-g-oxobenzenebutanoic Acid; Colibil; MFCD00865221; 4-Oxo-4-(2,4,5-triethoxyphenyl)butanoic acid; Trepibutone; AA 149; Triethoxybenzoylpropionate; Supacal
Molecular FormulaC16H22O6
Molecular Weight310.35
Purity98.00%
Density1.1±0.1 g/cm3
Boiling Point498.6±45.0 °C at 760 mmHg
Melting Point146-150ºC
AppearanceLight yellow crystal powder
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 41826-92-0 |
| Catalog No. | 2A-9042866 |
| Chinese Name | 曲匹布通 |
| Synonyms | 2,4,5-Triethoxy-g-oxobenzenebutanoic Acid; Colibil; MFCD00865221; 4-Oxo-4-(2,4,5-triethoxyphenyl)butanoic acid; Trepibutone; AA 149; Triethoxybenzoylpropionate; Supacal |
| Molecular Formula | C16H22O6 |
| Molecular Weight | 310.35 |
| Purity | 98.00 |
| Density | 1.1±0.1 g/cm3 |
| Boiling Point | 498.6±45.0 °C at 760 mmHg |
| Melting Point | 146-150ºC |
| Appearance | Light yellow crystal powder |
| Storage Condition | Room temperature, sealed, dry |
| Application | Teriperidone (AA 149) increases the secretion of bile and pancreatic juice and accelerates the relaxation of gastrointestinal smooth muscles. Teriperidone can be used in the research of cholecystitis |
| HTC | 2918990090 |
| PubChem ID | 5659234 |
| MDL Number | MFCD00865221 |
| SMILES | CCOc1cc(OCC)c(C(=O)CCC(=O)O)cc1OCC |
| InChI | InChI=1S/C16H22O6/c1-4-20-13-10-15(22-6-3)14(21-5-2)9-11(13)12(17)7-8-16(18)19/h9-10H,4-8H2,1-3H3,(H,18,19) |
| InChI Key | YPTFHLJNWSJXKG-UHFFFAOYSA-N |
| MSDS | msds/42866_1_41826_92_0.pdf |
| Use of | Trepibutone (AA 149) increases secretion of bile and pancreatic juice, and accelerates flaccidity of the smooth muscle in the gastrointestinal tract. Trepibutone can be used for the research of cholecystitis and functional gastrointestinal disorders[1][2]. Properties Name 4-oxo-4-(2,4,5-triethoxyphenyl)butanoic acid Synonym More Synonyms Trepibutone Biological Activity Description Trepibutone (AA 149) increases secretion of bile and pancreatic juice, and accelerates flaccidity of the smooth muscle in the gastrointestinal tract. Trepibutone can be used for the research of cholecystitis and functional gastrointestinal disorders[1][2]. Related Catalog Signaling Pathways >> Others >> Others Research Areas >> Inflammation/Immunology In Vitro Trepibutone (1-1000 μM) markedly relaxes the sphincter of Oddi and duodenum[1]. Chemical & Physical Properties Molecular Formula C16H22O6 Exact Mass 310.141632 PSA 82.06000 Index of Refraction 1.512 InChIKey YPTFHLJNWSJXKG-UHFFFAOYSA-N Toxicological Information CHEMICAL IDENTIFICATION RTECS NUMBER : CHEMICAL NAME : Propionic acid, 3-(2,4,5-triethoxybenzoyl)- CAS REGISTRY NUMBER : 41826-92-0 LAST UPDATED : DATA ITEMS CITED : MOLECULAR FORMULA : C16-H22-O6 MOLECULAR WEIGHT : WISWESSER LINE NOTATION : QV2VR BO2 DO2 EO2 HEALTH HAZARD DATA ACUTE TOXICITY DATA 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 : IYKEDH Iyakuhin Kenkyu. Study of Medical Supplies. (Nippon Koteisho Kyokai, 12-15, 2-chome, Shibuya, Shibuya-ku, Tokyo 150, Japan) V.1- 1970- Volume(issue)/page/year: 11,811,1980 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 : IYKEDH Iyakuhin Kenkyu. Study of Medical Supplies. (Nippon Koteisho Kyokai, 12-15, 2-chome, Shibuya, Shibuya-ku, Tokyo 150, Japan) V.1- 1970- Volume(issue)/page/year: 11,811,1980 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 : IYKEDH Iyakuhin Kenkyu. Study of Medical Supplies. (Nippon Koteisho Kyokai, 12-15, 2-chome, Shibuya, Shibuya-ku, Tokyo 150, Japan) V.1- 1970- Volume(issue)/page/year: 11,811,1980 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 : IYKEDH Iyakuhin Kenkyu. Study of Medical Supplies. (Nippon Koteisho Kyokai, 12-15, 2-chome, Shibuya, Shibuya-ku, Tokyo 150, Japan) V.1- 1970- Volume(issue)/page/year: 11,811,1980 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : TOXIC EFFECTS : Lungs, Thorax, or Respiration - dyspnea REFERENCE : YAKUD5 Gekkan Yakuji. Pharmaceuticals Monthly. (Yakugyo Jihosha, Inaoka Bldg., 2-36 Jinbo-cho, Kanda, Chiyoda-ku, Tokyo 101, Japan) V.1- 1959- Volume(issue)/page/year: 22,1501,1980 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intraperitoneal SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : TOXIC EFFECTS : Lungs, Thorax, or Respiration - dyspnea REFERENCE : YAKUD5 Gekkan Yakuji. Pharmaceuticals Monthly. (Yakugyo Jihosha, Inaoka Bldg., 2-36 Jinbo-cho, Kanda, Chiyoda-ku, Tokyo 101, Japan) V.1- 1959- Volume(issue)/page/year: 22,1501,1980 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Subcutaneous SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : TOXIC EFFECTS : Lungs, Thorax, or Respiration - dyspnea REFERENCE : YAKUD5 Gekkan Yakuji. Pharmaceuticals Monthly. (Yakugyo Jihosha, Inaoka Bldg., 2-36 Jinbo-cho, Kanda, Chiyoda-ku, Tokyo 101, Japan) V.1- 1959- Volume(issue)/page/year: 22,1501,1980 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 : IYKEDH Iyakuhin Kenkyu. Study of Medical Supplies. (Nippon Koteisho Kyokai, 12-15, 2-chome, Shibuya, Shibuya-ku, Tokyo 150, Japan) V.1- 1970- Volume(issue)/page/year: 11,811,1980 ** OTHER MULTIPLE DOSE TOXICITY DATA ** TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : SPECIES OBSERVED : Rodent - rat DOSE/DURATION : TOXIC EFFECTS : Endocrine - changes in spleen weight Endocrine - changes in thymus weight Blood - hemorrhage REFERENCE : TAKHAA Takeda Kenkyusho Ho. Journal of the Takeda Research Laboratories. (Takeda Yakuhin Kogyo K.K., 2-17-85 Jusohon-machi, Yodogawa-ku, Osaka 532, Japan) V.29- 1970- Volume(issue)/page/year: 36,263,1977 TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : SPECIES OBSERVED : Rodent - rat DOSE/DURATION : TOXIC EFFECTS : Brain and Coverings - changes in brain weight Endocrine - changes in adrenal weight Nutritional and Gross Metabolic - weight loss or decreased weight gain REFERENCE : TAKHAA Takeda Kenkyusho Ho. Journal of the Takeda Research Laboratories. (Takeda Yakuhin Kogyo K.K., 2-17-85 Jusohon-machi, Yodogawa-ku, Osaka 532, Japan) V.29- 1970- Volume(issue)/page/year: 36,263,1977 Safety Information HS Code 2918990090 Synthetic Route Total: 1 Page 4-Methoxy-4-oxo... CAS#:3878-55-5 1,2,4-Triethoxy... CAS#:41827-15-0 Trepibutone CAS#:41826-92-0 Literature: Murata; Satoh; Nohara; et al. European Journal of Medicinal Chemistry, 1977 , vol. 12, # 1 p. 17 - 20 Precursor & DownStream Precursor 2 CAS#:3878-55-5 4-Methoxy-4-oxo... CAS#:41827-15-0 1,2,4-Triethoxy... DownStream 1 CAS#:63213-45-6 3-(2'-hydroxy-4... |
| Tax Rebate | 13.0% |
| Supervision | None. MFN tariff: 6.5%. Ordinary tariff: 30.0% |
| Transport Info | Product name: Summary 2918990090. other carboxylic acids with additional oxygen function and their anhydrides, halides, peroxides and peroxyacids; their halogenated, sulphonated, nitrated or nitrosated derivatives. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0% |
| Related Products in Specialty Chemicals | ||
|---|---|---|
| N-Hexadecanoyl-4-hydroxy-L-proline | 41736-92-9 | 2A-9042852 |
| Irisflorentin | 41743-73-1 | 2A-9042854 |
| N,N-Dibutyl-1-methylpentylamine | 41781-55-9 | 2A-9042859 |
| 3-Methoxy-N-methylbenzylamine | 41789-95-1 | 2A-9042860 |
| Allyl thiopropionate | 41820-22-8 | 2A-9042865 |
| Cresyl Violet perchlorate | 41830-80-2 | 2A-9042867 |
| 4-Hydroxy-3-nitrobenzyl alcohol | 41833-13-0 | 2A-9042868 |
| Methyl 4-bromophenylacetate | 41841-16-1 | 2A-9042871 |
| N-(4-Chlorobenzoyl)-tyramine | 41859-57-8 | 2A-9042873 |
| 2-Methylbenzhydryl chloride | 41870-52-4 | 2A-9042877 |
| Browse all Specialty Chemicals products » | ||
Phone:
630-322-8886
630-322-8887
Email:
Office Locations:
Chicago, IL, USA
San Francisco, CA, USA
EN
SDS