CAS Number1248-42-6
Synonyms2-[4-(2-Piperidino-aethoxy)-benzoyl]-benzoesaeure-methylester,Hydrochlorid; methyl 2-[4-(2-piperidin-1-ylethoxy)benzoyl]benzoate hydrochloride; 2-[4-(2-piperidino-ethoxy)-benzoyl]-benzoic acid methyl ester,hydrochloride; pitofenone hydrochloride; methyl 2-[4-(2-piperidin-1-ylethoxy)phenyl]carbonylbenzoate hydrochloride; methyl 2-[4-(2-piperidinoethoxy)benzoyl]benzoate hydrochloride
Molecular FormulaC22H26ClNO4
Molecular Weight403.90
Boiling Point512ºC at 760 mmHg
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 1248-42-6 |
| Catalog No. | 2A-1186595 |
| Chinese Name | 盐酸匹敌威 |
| Synonyms | 2-[4-(2-Piperidino-aethoxy)-benzoyl]-benzoesaeure-methylester,Hydrochlorid; methyl 2-[4-(2-piperidin-1-ylethoxy)benzoyl]benzoate hydrochloride; 2-[4-(2-piperidino-ethoxy)-benzoyl]-benzoic acid methyl ester,hydrochloride; pitofenone hydrochloride; methyl 2-[4-(2-piperidin-1-ylethoxy)phenyl]carbonylbenzoate hydrochloride; methyl 2-[4-(2-piperidinoethoxy)benzoyl]benzoate hydrochloride |
| Molecular Formula | C22H26ClNO4 |
| Molecular Weight | 403.90 |
| Boiling Point | 512ºC at 760 mmHg |
| Storage Condition | 2-8℃ |
| Application | Pitofenone hydrochloride is an antispasmodic compound that inhibits acetylcholinesterase (AChE) activity with Ki values of 36 and 45 μM for AChE from bovine erythrocytes and electric eel, respective |
| HTC | 2933399090 |
| PubChem ID | 10239447 |
| MDL Number | MFCD01661944 |
| SMILES | COC(=O)c1ccccc1C(=O)c1ccc(OCCN2CCCCC2)cc1.Cl |
| InChI | InChI=1S/C22H25NO4.ClH/c1-26-22(25)20-8-4-3-7-19(20)21(24)17-9-11-18(12-10-17)27-16-15-23-13-5-2-6-14-23;/h3-4,7-12H,2,5-6,13-16H2,1H3;1H |
| InChI Key | ZRFIFDFEDPJBII-UHFFFAOYSA-N |
| NACRES Code | NA.77 |
| UNSPSC | 12352200 |
| Use of | Pitofenone hydrochloride, a spasmolytic compound, inhibits the acetylcholinesterase (AChE) activity from bovine erythrocytes and from electric eel with Kis of 36 and 45 μM, respectively. Properties Name methyl 2-[4-[2-piperidinoethoxy]benzoyl]benzoate hydrochloride Synonym More Synonyms Pitofenone hydrochloride Biological Activity Description Pitofenone hydrochloride, a spasmolytic compound, inhibits the acetylcholinesterase (AChE) activity from bovine erythrocytes and from electric eel with Kis of 36 and 45 μM, respectively. Related Catalog Signaling Pathways >> Neuronal Signaling >> AChE Research Areas >> Neurological Disease Ki: 36 μM (AChE, bovine erythrocytes), 45 μM (AChE, electric eel) References [1]. Punekar NS, et al. Acetylcholinesterase inhibition by pitofenone: a spasmolytic compound. Biotechnol Appl Biochem. 1991 Dec;14(3):378-82. Chemical & Physical Properties Exact Mass 403.15500 PSA 55.84000 LogP 4.30880 InChIKey ZRFIFDFEDPJBII-UHFFFAOYSA-N Storage condition 2-8℃ Toxicological Information CHEMICAL IDENTIFICATION RTECS NUMBER : CHEMICAL NAME : Benzoic acid, o-(p-(2-piperidinoethoxy)benzoyl)-, methyl ester, hydrochloride CAS REGISTRY NUMBER : LAST UPDATED : DATA ITEMS CITED : MOLECULAR FORMULA : 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 : TKZGAG Trudove na Nauchnoizsledovatelskiya Khimiko-Farmatsevtichen Institut. Transactions of the Scientific Research Chemico-Pharmaceutical Institute. (Durzhavno Izdatelstvo Tekhnika, Bul. Russki 6, Sofia Bulgaria) V.4- 1963 Volume(issue)/page/year: 15,211,1985 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 : TKZGAG Trudove na Nauchnoizsledovatelskiya Khimiko-Farmatsevtichen Institut. Transactions of the Scientific Research Chemico-Pharmaceutical Institute. (Durzhavno Izdatelstvo Tekhnika, Bul. Russki 6, Sofia Bulgaria) V.4- 1963 Volume(issue)/page/year: 15,211,1985 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 : TKZGAG Trudove na Nauchnoizsledovatelskiya Khimiko-Farmatsevtichen Institut. Transactions of the Scientific Research Chemico-Pharmaceutical Institute. (Durzhavno Izdatelstvo Tekhnika, Bul. Russki 6, Sofia Bulgaria) V.4- 1963 Volume(issue)/page/year: 15,211,1985 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 : TKZGAG Trudove na Nauchnoizsledovatelskiya Khimiko-Farmatsevtichen Institut. Transactions of the Scientific Research Chemico-Pharmaceutical Institute. (Durzhavno Izdatelstvo Tekhnika, Bul. Russki 6, Sofia Bulgaria) V.4- 1963 Volume(issue)/page/year: 15,211,1985 Safety Information HS Code 2933399090 |
| Tax Rebate | 13.0% |
| Supervision | None. MFN tariff: 6.5%. Ordinary tariff: 20.0% |
| Transport Info | Product name: Summary 2933399090. other compounds containing an unfused pyridine ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0% |
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