Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
부타바르비탈
부타바르비탈 · Butrate · Nilox · Butatab · Butatal · Butisol · Secumal · Butabarb
식별자 및 물리적 특성
| CAS No. | 125-40-6 |
|---|---|
| 분자식 | C10H16N2O3 |
| 평균 분자량 | 212.25 g/mol |
| 단동위원소 질량 | 212.11609237 g/mol |
| SMILES | CCC(C)C1(CC)C(=O)NC(=O)NC1=O |
| InChIKey | ZRIHAIZYIMGOAB-UHFFFAOYSA-N |
| PubChem CID | 2479 |
| ChEMBL | CHEMBL449 |
| ChEBI | CHEBI:3228 |
| EC No. | 204-738-6 |
| DTXSID | DTXSID2022709 |
| 현지명 | 부타바르비탈 |
화학 및 물리적 성질
| XLogP | 1.6 |
|---|---|
| 극성 표면적 | 75.3 |
| 수소 결합 공여자 수 | 2 |
| 수소 결합 수용자 수 | 3 |
| 회전 가능 결합 수 | 3 |
| 무거운 원자 수 | 15 |
| 형식 전하 | 0 |
| 복잡도 | 292 |
| 의약품 | DEA NFLIS-Drug Category -> Depressants and Tranquilizers |
| SpringerMaterials Properties | Nuclear quadrupole resonance spectroscopy |
| LogP(분배 계수) | log Kow = 1.651.5 |
| 냄새 | Odorless |
| 맛 | Bitter |
| Color/Form | Fine, white, microcrystalline powder |
| 용해도 | WHITE POWDERPRACTICALLY INSOL IN BENZENE & ABS ETHER /SODIUM SALT/1.39e+00 g/LDMSO(약간 용해됨), 메탄올(약간 용해됨) |
| Human Drugs | Breast FeedingLactationMilk, HumanBarbituratesHypnotics and SedativesGABA ModulatorsPharmaceuticals |
| Decomposition | When heated to decomp it emits toxic fumes of oxides of /nitric oxide/. |
| 녹는점 | 165-168 °C166.5 °C166.5°C |
| 굴절률 | INDEX OF REFRACTION: 1.465 (ALPHA)1.529 (BETA)1.532 (GAMMA) /SODIUM SALT/1.4550 (estimate) |
| Physical Description | Solid |
| 끓는 점 | 352.08°C (rough estimate) |
| 밀도 | 1.1718 (rough estimate) |
| 인화점 | 9℃ |
| 저장 조건 | -20°C |
| 물리적 상태 | 고체 |
| pKa(산도 계수) | 7.93±0.10(Predicted) |
| 색상 | 하얀색 |
| 용해도 | 848.3mg/L(25 ºC) |
| EPA | 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-ethyl-5-(1-methylpropyl)- (125-40-6) |
안전 및 규제
| GHS 분류 | DangerH301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]P264, P270, P301+P316, P321, P330, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 43 reports by companies from 1 notifications to the ECHA C&L Inventory. |
|---|---|
| 기타 안전 정보 | IMAP assessments - 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-ethyl-5-(1-methylpropyl)-: Human health tier I assessment |
| FDA 요건 | The Approved Drug Products with Therapeutic Equivalence Evaluations List identifies currently marketed prescription drug products, including butabarbital sodium, approved on the basis of safety and effectiveness by FDA under sections 505 of the Federal Food, Drug, and Cosmetic Act. /Butabarbital sodium/Butabarbital sodium is a chemical derivative of barbituric acid, named in section 502(d) of the Federal Food, Drug, and Cosmetic Act, and is hereby designated as habit forming. /Butabarbital sodium/Schedule III shall consist of the drugs and other substances, by whatever official name, common or usual name, chemical name, or brand name designated, listed in this section. Each drug or substance has been assigned the DEA Controlled Substances Code Number set forth opposite it. ... Depressants: Unless specifically excepted or unless listed in another schedule, any material, compound, mixture, or preparation which contains any quantity of the following substances having a depressant effect on the central nervous system: Any substance which contains any quantity of a derivative of barbituric acid or any salt thereof. DEA Code Number: 2100. /Derivatives of barbituric acid or any salt thereof/ |
| Special Reports | DHHS/NIDAResearch Monographs Series 73: Urine Testing for Drugs of Abuse (1986)[Available from, as of March 29, 2010: http://www.nida.nih.gov/pdf/monographs/download73.html] |
| Hazard Classes and Categories | Acute Tox. 3 (100%) |
| Skin, Eye, and Respiratory Irritations | May cause irritation. Remove to fresh air. Flush with copious quantities of water. |
| Hazardous Reactivities and Incompatibilities | Solutions of butabarbital sodium should not be added to acidic solutions because precipitation of butabarbital may occur. |
| 소화 절차 |
용도
개요
Butabarbital (CRM) (Item No. 20088) is a certified reference material categorized as a barbiturate. It has a high abuse potential and increases risk of overdose morbidity and mortality in recreational drug users. Butabarbital is regulated as a Schedule III compound in the United States. Butabarbital (CRM) (Item No. 20088) is provided as a DEA exempt preparation. This product is intended for research and forensic applications.
용도
Butabarbital is also used as a soporific drug in various forms of insomnia and as a sedative. The most frequently used synonym is butizone.