Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
클로르메자논
클로르메자논 · Lobak · Rexan · Rilax · Alinam · Bisina · Muskel · win4692
식별자 및 물리적 특성
| CAS No. | 102818-66-6 |
|---|---|
| 분자식 | C11H12ClNO3S |
| 평균 분자량 | 273.74 g/mol |
| 단동위원소 질량 | 273.02264192 g/mol |
| SMILES | CN1C(=O)CCS(=O)(=O)C1c1ccc(Cl)cc1 |
| InChIKey | WEQAYVWKMWHEJO-UHFFFAOYSA-N |
| PubChem CID | 2717 |
| ChEMBL | CHEMBL1200714 |
| ChEBI | CHEBI:3619 |
| EC No. | 201-307-4 |
| DTXSID | DTXSID3022798 |
| 현지명 | 클로르메자논 |
화학 및 물리적 성질
| XLogP | 1.1 |
|---|---|
| 극성 표면적 | 62.8 |
| 수소 결합 공여자 수 | 0 |
| 수소 결합 수용자 수 | 3 |
| 회전 가능 결합 수 | 1 |
| 무거운 원자 수 | 17 |
| 형식 전하 | 0 |
| 복잡도 | 395 |
| LogP(분배 계수) | 1.3 |
| Color/Form | CRYSTALS |
| 용해도 | SOL (% WT/VOL) @ 25 °C: LESS THAN 0.25% IN WATER, LESS THAN 1.0% IN 95% ETHANOLFREELY SOL IN CHLOROFORMSLIGHTLY SOL IN DIETHYL ETHERSPARINGLY SOL IN N-HEXANE1.61e+00 g/L클로로포름(약간 용해됨), 에틸아세테이트(약간 용해됨), 메탄올(약간 용해됨) |
| Human Drugs | FDA approved drugs -> Active ingredientPharmaceuticals |
| 녹는점 | 116.2-118.6116.2-118.2 °C116.2 °C114 °C |
| Physical Description | Solid |
| Collision Cross Section | 154.1 Ų [M-H]- [CCS Type: DTBuffer gas: N2Ionization: ESI-Dataset: TOXCASTSource Identifier: DTXSID3022798]156.85 Ų [M+H]+ [CCS Type: TWMethod: calibrated with polyalanine and drug standards]158.2 Ų [M+H]+ [CCS Type: TW |
| 끓는 점 | 534.5±50.0 °C(Predicted) |
| 밀도 | 1.2205 (rough estimate) |
| 굴절률 | 1.6300 (estimate) |
| 저장 조건 | Sealed in dry,Room Temperature |
| 물리적 상태 | 고체 |
| pKa(산도 계수) | -2.37±0.40(Predicted) |
| 색상 | 흰색에서 연한 노란색 |
| Merck | 14,2106 |
| InChI | InChI=1S/C11H12ClNO3S/c1-13-10(14)6-7-17(15,16)11(13)8-2-4-9(12)5-3-8/h2-5,11H,6-7H2,1H3 |
| InChIKey | WEQAYVWKMWHEJO-UHFFFAOYSA-N |
| SMILES | S1(=O)(=O)CCC(=O)N(C)C1C1=CC=C(Cl)C=C1 |
| NIST | Chlormezanone(80-77-3) |
안전 및 규제
| GHS 분류 | WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 4 reports by companies from 2 notifications to the ECHA C&L Inventory. |
|---|---|
| 기타 안전 정보 | IMAP assessments - 4H-1,3-Thiazin-4-one, 2-(4-chlorophenyl)tetrahydro-3-methyl-, 1,1-dioxide: Environment tier I assessment |
| Hazard Classes and Categories | Acute Tox. 4 (100%) |
| 상호 작용 | CHLORMEZANONE MAY LOWER TOLERANCE OF PATIENTS TO ALCOHOL...POSSIBLE ADDITIVE EFFECTS /WITH CHLORMEZANONE &/ CNS DEPRESSANTS SUCH AS ALCOHOL, PHENOTHIAZINES, BARBITURATES, NARCOTICS, OTHER PSYCHOTHERAPEUTIC AGENTS, & MONOAMINE OXIDASE INHIBITORS. |
| 독성 요약 | Chlormezanone binds to central benzodiazepine receptors which interact allosterically with GABA receptors. This potentiates the effects of the inhibitory neurotransmitter GABA, increasing the inhibition of the ascending reticular activating system and blocking the cortical and limbic arousal that occurs following stimulation of the reticular pathways. |
| Signs and Symptoms | Symptoms of overdose include drowsiness, weakness, nausea, dizziness, abdominal pain, cerebral oedema and renal tubular necrosis, hyperglycaemia and hypoglycaemia, liver damage, encephalopathy, coma and death. |
| Human Toxicity Excerpts | ...COMMONLY PRODUCE DROWSINESS, DIZZINESS, HEADACHE, BLURRED VISION, WEAKNESS, LETHARGY, ATAXIA, & NYSTAGMUS. NAUSEA, VOMITING, HEARTBURN, & ABDOMINAL DISTRESS...ESP AFTER LARGE ORAL DOES. ...SKIN RASH & PRURITUS &, RARELY, ANAPHYLACTOID REACTIONS & LEUKOPENIA. /CENTRALLY ACTING MUSCLE RELAXANTS/INCIDENCE OF UNTOWARD REACTIONS IS ABOUT 3% & MINOR IN NATURE...MALAISE, EXCITEMENT... PETECHIAE, OR ECCHYMOSES SOMETIMES DEVELOPLIVER DAMAGE...OR ANGIONEUROTIC EDEMA ARE RARE.LETHARGY & FLUSHING HAVE BEEN OBSERVED & JAUNDICE HAS OCCURRED RARELY....ORAL TOXICITY LESS THAN MEPROBAMATE, ZOXAZOLAMINE, OR METHOCARBAMOL. ... IN CLINICAL TRIALS ONLY 2.3% OF 4653 PT HAS SIDE EFFECTS... OVERDOSAGE UP TO 10 G HAS NOT CAUSED DEATH. EVEN LARGE AMT PRODUCE ONLY MILD SIDE EFFECTS. |
| Carcinogen Classification | No indication of carcinogenicity to humans (not listed by IARC). |
용도
용도
Chlormezanone improves the emotional state of the patient, relieving moderate anxiety and stress. However, it has a number of side effects, and because it does not have any advantage over other anxiolytics, it is rarely used in practice.