Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
Medazepam
Siman · Diepin · Elbrus · Esmail · Narsis · Resmit · Ansilan · mezapam
식별자 및 물리적 특성
| CAS No. | 2898-12-6 |
|---|---|
| 분자식 | C16H15ClN2 |
| 평균 분자량 | 270.75 g/mol |
| 단동위원소 질량 | 270.09237616 g/mol |
| SMILES | CN1CCN=C(c2ccccc2)c2cc(Cl)ccc21 |
| InChIKey | YLCXGBZIZBEVPZ-UHFFFAOYSA-N |
| PubChem CID | 4041 |
| ChEMBL | CHEMBL28333 |
| ChEBI | CHEBI:31807 |
| EC No. | 220-783-4 |
| DTXSID | DTXSID1048708 |
화학 및 물리적 성질
| XLogP | 4.4 |
|---|---|
| 극성 표면적 | 15.6 |
| 수소 결합 공여자 수 | 0 |
| 수소 결합 수용자 수 | 2 |
| 회전 가능 결합 수 | 1 |
| 무거운 원자 수 | 19 |
| 형식 전하 | 0 |
| 복잡도 | 336 |
| 의약품 | DEA NFLIS-Drug Category -> BenzodiazepinesDEA Schedule IV Controlled Substance -> DepressantsPharmaceuticalsPharmaceuticals -> BenzodiazepinesPharmaceuticals -> Synthetic Cannabinoids or Psychoactive Compounds |
| SpringerMaterials Properties | Fusion temperature |
| Human Drugs | Pharmaceuticals |
| Collision Cross Section | 160.8 Ų [M+H]+ [CCS Type: TWMethod: Major Mix IMS/Tof Calibration Kit (Waters)] |
| 녹는점 | 95-97° |
| 끓는 점 | 420.36°C (rough estimate) |
| 밀도 | 1.1336 (rough estimate) |
| 굴절률 | 1.5749 (estimate) |
| 저장 조건 | -20°C |
| 용해도 | 메탄올(약간 용해됨), 물(약간 용해됨) |
| 물리적 상태 | 고체 |
| pKa(산도 계수) | pKa 6.2(H2O) (Uncertain) |
| 색상 | 노란색에서 주황색으로 |
| 용해도 | 10.83mg/L(37℃) |
| 주요 응용 | 임상 시험 |
| InChI | 1S/C16H15ClN2.ClH/c1-19-10-9-18-16(12-5-3-2-4-6-12)14-11-13(17)7-8-15(14)19/h2-8,11H,9-10H2,1H3 |
| InChIKey | XBWAZCLHZCFCGK-UHFFFAOYSA-N |
| SMILES | Clc1cc2c(cc1)N(CCN=C2c3ccccc3)C.Cl |
안전 및 규제
| GHS 분류 | WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P203, P260, P261, P263, P264, P270, P271, P280, P301+P317, P304+P340, P318, P319, P330, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 31 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| 규제 정보 | DEA schedule IV controlled substance |
| 기타 안전 정보 | IMAP assessments - 1H-1,4-Benzodiazepine, 7-chloro-2,3-dihydro-1-methyl-5-phenyl-: Environment tier I assessment |
| 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 | Benzodiazepines bind nonspecifically to benzodiazepine receptors BNZ1, which mediates sleep, and BNZ2, which affects affects muscle relaxation, anticonvulsant activity, motor coordination, and memory. As benzodiazepine receptors are thought to be coupled to gamma-aminobutyric acid-A (GABAA) receptors, this enhances the effects of GABA by increasing GABA affinity for the GABA receptor. Binding of the inhibitory neurotransmitter GABA to the site opens the chloride channel, resulting in a hyperpolarized cell membrane that prevents further excitation of the cell. |
| Carcinogen Classification | No indication of carcinogenicity to humans (not listed by IARC). |
| 수질 위해 등급(WGK) | WGK 2 |
| 운송 번호(UN) | 3249 |
| 독성 | LD50 in mice (mg/kg): 360 i.p., 1070 orally (Randall) |
| 위험 문구(R) | 22 |
| 위험 표시 | Xn |
| 포장분류 | III |
| 위험 등급 | 6.1(b)Acute Tox. 3 DermalAcute Tox. 3 InhalationAcute Tox. 3 OralFlam. Liq. 2STOT SE 1 |
| 저장 분류 | 3 - Flammable liquids |
| DEA Controlled Substances | CSCN: 2836CSA SCH: Schedule IVNARC: No |
용도
용도
Tranquilizer (minor).