Introduction：Basic information about CAS 154-82-5|Simetride, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | Simetride |
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| CAS Number | 154-82-5 | Molecular Weight | 498.61100 |
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| Density | 1.147g/cm3 | Boiling Point | 682.6ºC at 760 mmHg |
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| Molecular Formula | C28H38N2O6 | Melting Point | / |
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| MSDS | / | Flash Point | 366.6ºC |
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Names
| Name | 2-(2-methoxy-4-propylphenoxy)-1-[4-[2-(2-methoxy-4-propylphenoxy)acetyl]piperazin-1-yl]ethanone |
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| Synonym | More Synonyms |
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Simetride BiologicalActivity
| Description | Simetride is an analgesic agent. Simeicui is used for pain relief[1]. |
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| Related Catalog | Signaling Pathways >>Others >>OthersResearch Areas >>Neurological Disease |
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| References | [1]. Mlyczyńska E, et, al. Anti-Apoptotic Effect of Apelin in Human Placenta: Studies on BeWo Cells and Villous Explants from Third-Trimester Human Pregnancy. Int J Mol Sci. 2021 Mar 9;22(5):2760. |
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Chemical & Physical Properties
| Density | 1.147g/cm3 |
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| Boiling Point | 682.6ºC at 760 mmHg |
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| Molecular Formula | C28H38N2O6 |
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| Molecular Weight | 498.61100 |
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| Flash Point | 366.6ºC |
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| Exact Mass | 498.27300 |
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| PSA | 77.54000 |
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| LogP | 3.61320 |
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| Vapour Pressure | 1.73E-18mmHg at 25°C |
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| Index of Refraction | 1.548 |
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| InChIKey | IMOLVSPMDGCLMB-UHFFFAOYSA-N |
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| SMILES | CCCc1ccc(OCC(=O)N2CCN(C(=O)COc3ccc(CCC)cc3OC)CC2)c(OC)c1 |
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| Storage condition | -20°C |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- TK9700000
- CHEMICAL NAME :
- Piperazine, 1,4-bis((2-methoxy-4-propylphenoxy)acetyl)-
- CAS REGISTRY NUMBER :
- 154-82-5
- BEILSTEIN REFERENCE NO. :
- 0772468
- LAST UPDATED :
- 199612
- DATA ITEMS CITED :
- 3
- MOLECULAR FORMULA :
- C28-H38-N2-O6
- MOLECULAR WEIGHT :
- 498.68
- WISWESSER LINE NOTATION :
- T6N DNTJ AV1OR D3 BO1& DV1OR D3 BO1
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- >1025 mg/kg
- 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: 6,206,1982
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- >1 gm/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- YKKZAJ Yakugaku Zasshi. Journal of Pharmacy. (Nippon Yakugakkai, 2-12-15 Shibuya, Shibuya-ku, Tokyo 150, Japan) No.1- 1881- Volume(issue)/page/year: 85,715,1965
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 12 gm/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- 85IPAE "Modern Pharmaceuticals of Japan, III," Tokyo, Japan Pharmaceutical, Medical and Dental Supply Exporters' Assoc., 1968 Volume(issue)/page/year: -,84,1968
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Safety Information
Customs
| HS Code | 2933599090 |
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| Summary | 2933599090. other compounds containing a pyrimidine ring (whether or not hydrogenated) or piperazine ring in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0% |
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Synonyms
| Piperazine,1,4-bis((2-methoxy-4-propylphenoxy)acetyl) |
| Simetridum [INN-Latin] |
| 1,4-Bis-(2-methoxy-4-propyl-phenoxyacetyl)-piperazin |
| Kyorin AP 2 |
| Simetride |
| Simetrida [INN-Spanish] |
| 1,4-Bis((2-methoxy-4-propylphenoxy)acetyl)piperazine |
| Simetridum |
| AP 2 |
