식별자 및 물리적 특성
| CAS No. | 22345-47-7 |
|---|
| 분자식 | C22H26N2O4 |
|---|
| 평균 분자량 | 382.5 g/mol |
|---|
| 단동위원소 질량 | 382.18925731 g/mol |
|---|
| SMILES | CCC1C(C)=NN=C(c2ccc(OC)c(OC)c2)c2cc(OC)c(OC)cc21 |
|---|
| InChIKey | RUJBDQSFYCKFAA-UHFFFAOYSA-N |
|---|
| PubChem CID | 5502 |
|---|
| ChEMBL | CHEMBL404216 |
|---|
| ChEBI | CHEBI:32241 |
|---|
| EC No. | 244-922-3 |
|---|
| DTXSID | DTXSID3023681 |
|---|
| 현지명 | 토피소팜 |
|---|
화학 및 물리적 성질
| XLogP | 3.2 |
|---|
| 극성 표면적 | 61.6 |
|---|
| 수소 결합 공여자 수 | 0 |
|---|
| 수소 결합 수용자 수 | 6 |
|---|
| 회전 가능 결합 수 | 6 |
|---|
| 무거운 원자 수 | 28 |
|---|
| 형식 전하 | 0 |
|---|
| 복잡도 | 579 |
|---|
| 녹는점 | 152 °C155-159°C |
|---|
| Physical Description | Solid |
|---|
| 끓는 점 | 509.61°C (rough estimate) |
|---|
| 밀도 | 1.2098 (rough estimate) |
|---|
| 굴절률 | 1.6500 (estimate) |
|---|
| 용해도 | DMSO: ~14mg/mL |
|---|
| 물리적 상태 | 고체 |
|---|
| pKa(산도 계수) | 7.29±0.40(Predicted) |
|---|
| 색상 | 하얀색 |
|---|
| Merck | 14,9503 |
|---|
| 안정성 | 흡습성 |
|---|
| InChI | 1S/C22H26N2O4/c1-7-15-13(2)23-24-22(14-8-9-18(25-3)19(10-14)26-4)17-12-21(28-6)20(27-5)11-16(15)17/h8-12,15H,7H2,1-6H3 |
|---|
| InChIKey | RUJBDQSFYCKFAA-UHFFFAOYSA-N |
|---|
| SMILES | CCC1C(C)=NN=C(c2ccc(OC)c(OC)c2)c3cc(OC)c(OC)cc13 |
|---|
안전 및 규제
| GHS 분류 | WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P264, P270, P273, P301+P317, P330, P391, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|
| Hazard Classes and Categories | Acute Tox. 4 (100%) |
|---|
| Treatment | General supportive measures should be employed, along with intravenous fluids, and an adequate airway maintained. Hypotension may be combated by the use of norepinephrine or metaraminol. Dialysis is of limited value. Flumazenil (Anexate) is a competitive benzodiazepine receptor antagonist that can be used as an antidote for benzodiazepine overdose. In particular, flumazenil is very effective at reversing the CNS depression associated with benzodiazepines but is less effective at reversing respiratory depression. Its use, however, is controversial as it has numerous contraindications. It is contraindicated in patients who are on long-term benzodiazepines, those who have ingested a substance that lowers the seizure threshold, or in patients who have tachycardia or a history of seizures. As a general rule, medical observation and supportive care are the mainstay of treatment of benzodiazepine overdose. Although benzodiazepines are absorbed by activated charcoal, gastric decontamination with activated charcoal is not beneficial in pure benzodiazepine overdose as the risk of adverse effects often outweigh any potential benefit from the procedure. It is recommended only if benzodiazepines have been taken in combination with other drugs that may benefit from decontamination. Gastric lavage (stomach pumping) or whole bowel irrigation are also not recommended. |
|---|
| 독성 요약 | Tofisopam does not bind to the benzodiazepine binding site of the gamma-aminobutyric acid receptor. One study (Rundfeldt C. et al.) has shown that tofisopam acts as an isoenzyme-selective inhibitor of phosphodiesterases (PDEs) with highest affinity to PDE-4A1 (0.42 _Мц_M) followed by PDE-10A1 (0.92 _Мц_M), PDE-3 (1.98 _Мц_M) and PDE-2A3 (2.11 _Мц_M). |
|---|
| Signs and Symptoms | The onset of impairment of consciousness is relatively rapid in benzodiazepine poisoning. Onset is more rapid following larger doses and with agents of shorter duration of action. The most common and initial symptom is somnolence. This may progress to coma (Grade I or Grade II) following very large ingestions. |
|---|
| Carcinogen Classification |
|---|
