Phenobarbital 苯巴比妥*(第二类精神药品，不能销售)
CAS 50-06-6 MFCD00066494
化学结构图
SMILES: CCC1(c2ccccc2)C(=O)NC(=O)NC1=O
化学属性
| Mol. Formula | C12H12N2O3 |
|---|---|
| Mol. Weight | 232.26 |
| Melting Point | 174 ºC |
| Solubility | <0.01 G/100 ML AT 14 ºC |
| Flash Point | 11 °C |
| Appearance | (大鼠、经口)(162±14) mg/kg。 50 白色结晶性粉末，味微苦，易潮解。Mp174-178℃。不溶于水，溶于乙醇(1：15)、氯仿和乙醚，易溶于氢氧化钠或碳酸钠溶液。中等毒，LD |
别名和识别编码
| Chemical Name | Phenobarbital |
|---|---|
| CAS Number | 50-06-6 |
| Synonym | 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-ethyl-5-phenyl- 5-ETHYL- 5-ETHYL-5-PHENYL-2,4,6-PYRIMIDINETRIONE 5-ETHYL-5-PHENYLPYRIMIDINE-2,4,6-TRIONE 5-Ethyl-5-phenyl-2,4,6(1H,3 5-Ethyl-5-phenyl-2,4,6(1H,3H,5H 5-Ethyl-5-phenyl-2,4,6-(1H,3H 5-Ethyl-5-phenylbarbituric acid 5-Ethyl-5-phenylbarbituric acid solution 5-ethyl-5- 5-ethyl-5-phenyl-2,4,6-(1h,3h,5h)pyrimidinetrione 5-phenyl-5-ethylbarbituricacid 5-乙-5-苯巴比妥酸 5-乙基-5-苯基巴比妥酸 5-乙基-5-苯基巴比妥酸,5-ETHYL-5-PHENYLBARTURIC ACID 6(1h,3h,5h)-pyrimidi Acid, Phenylethylbarbituric Acido 5-fenil-5-etilbarbiturico Adonal Agrypnal Amylofene Aphenylbarbit Aphenyletten Austrominal Barbenyl Barbiphenyl |
| MDL Number | MFCD00066494 |
| Beilstein Registry Number | 233363 |
| EC Number | 200-007-0 |
| PubChem Substance ID | 4763 |
| Chemical Name Translation | 苯巴比妥*(第二类精神药品，不能销售) |
| Merck Number | 13,7319 |
| Wiswesser Line Notation | T6VMVMV FHJ F2 FR |
| InChI | InChI=1S/C12H12N2O3/c1-2-12(8-6-4-3-5-7-8)9(15)13-11(17)14-10(12)16/h3-7H,2H2,1H3,(H2,13,14,15,16,17) |
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分类
- {Chemicalbook} 生物化学品: 生化试剂: 核糖、核苷酸及其他类
- Heterocycles
- {SA} Alphabetic, Analytical Standards, Analytical/Chromatography, Barbiturates, Chemical Structure, Chromatography, Drugs of Abuse, Forensic and Veterinary Standards, P, PER - POLA
- Pharmaceuticals
- Aromatics
- {SNA} Application Index, Approved Therapeutics/Drug Candidates, Bayer, Bioactive Small Molecules, Biochemicals and Reagents, Cell Biology, Cell Signaling Enzymes, Cell Signaling and Neuroscience, Enzymes, Inhibitors, and Substrates, Neurobiology, Neuroscience, P, Pharmacologicals, Sedative/Hypnotics,
- Intermediates & Fine Chemicals,
产品应用
- This is a controlled substance (depressant). Anticonvulsant; sedative; hypnotic.
相关文献及参考
- Goldenthal, E.I., et al.: Toxicol. Appl. Pharmacol., 18, 185 (1971),
- Chao, M.K.C., et al.: Anal. Profiles Drug Subs., 7, 359 (1978),
安全信息
GHS Symbol
- P201 Obtain special instructions before use. 使用前获取专门指示。
- P202 Do not handle until all safety precautions have been read and understood. 已阅读并理解所有的安全预防措施之前，切勿操作。
- P210 Keep away from heat/sparks/open flames/hot surfaces. — No smoking. 远离热源/火花/明火/热的表面。——禁止吸烟。
- P260 Do not breathe dust/fume/gas/mist/vapours/spray. 不要吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
- P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
- P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
- P270 Do not eat, drink or smoke when using this product. 使用本产品时不要吃东西，喝水或吸烟。
- P271 Use only outdoors or in a well-ventilated area.? 只能在室外或通风良好的地方使用。
- P272 Contaminated work clothing should not be allowed out of the workplace. 污染的工作服不得带出工作场所。
- P280 Wear protective gloves/protective clothing/eye protection/face protection. 戴防护手套/防护服/眼睛的保护物/面部保护物。
- P281 Use personal protective equipment as required. 使用所需的个人防护装备。
- P301+P310
- P302+P352
- P304+P340
- P308+P313
- P311 Call a POISON CENTER or doctor/physician. 呼叫解毒中心或医生/医师。
- P312 Call a POISON CENTER or doctor/physician if you feel unwell. 如果你感觉不适，呼叫解毒中心或医生/医师。
- P314 Get medical advice/attention if you feel unwell. 获取医疗咨询/就医，如果你觉得不舒服
- P321 Specific treatment (see … on this label). 具体治疗（见本标签上的）。
- P330 Rinse mouth. 漱口
- P333+P313
- P363 Wash contaminated clothing before reuse. 被污染的衣服洗净后方可重新使用。
- P403+P233
- P405 Store locked up. 上锁保管。
- P501 Dispose of contents/container to..… 处理内容物/容器.....
- H225 Highly flammable liquid and vapour 高度易燃液体和蒸气
- H301 Toxic if swallowed 吞食有毒
- H311 Toxic in contact with skin 皮肤接触中毒
- H317 May cause an allergic skin reaction 可能导致皮肤过敏
- H331 Toxic if inhaled 吸入中毒
- H351 Suspected of causing cancer 怀疑致癌
- H360 May damage fertility or the unborn child 可能对生育能力或未出生婴儿造成伤害
- H370 Causes damage to organs 导致器官损伤
- S45 In case of accident or if you feel unwell seek medical advice immediately (show the label where possible) 发生事故时或感觉不适时，立即求医（可能时出示标签）；
- S36/37 Wear suitable protective clothing and gloves 穿戴适当的防护服和手套；
- S53 Avoid exposure - obtain special instructions before use 避免接触，使用前获得特别指示说明；
- R61 May cause harm to the unborn child 可能对未出生的婴儿导致伤害
- R43 May cause sensitisation by skin contact 皮肤接触会产生过敏反应
- R40 Limited evidence of a carcinogenic effect 有限证据表明其致癌作用
- R25 Toxic if swallowed 吞咽有毒
- R39/23/24/25 Toxic: danger of very serious irreversible effects through inhalation, in contact with skin and if swallowed 毒性：吸入，皮肤接触和吞食都会产生十分严重的不可逆危险
- R23/24/25 Toxic by inhalation, in contact with skin and if swallowed 吸入，皮肤接触及吞食都有毒
- R11 Highly flammable 非常易燃
{hTYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 7560 mg/kg/36W-C TOXIC EFFECTS : Tumorigenic - equivocal tumorigenic agent by RTECS criteria Liver - tumors Tumorigenic - cells (cultured) transformed REFERENCE : GANNA2 Gann. Japanese Journal of Cancer Research. (Tokyo, Japan) V.1-75, 1907-84. For publisher information, see JJCREP. Volume(issue)/page/year: 69,679,1978
TYPE OF TEST : TD - Toxic dose (other
{hazard_comTYPE OF TEST :
TYPE OF TEST : TD - Toxic dose (other than lowest) ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 3990 mg/kg/19W-C TOXIC EFFECTS : Tumorigenic - Carcinogenic by RTECS criteria Endocrine - thyroid tumors Tumorigenic - cells (cultured) transformed REFERENCE : CRNGDP Carcinogenesis (London). (Oxford Univ. Press, Pinkhill House,
TYPE OF TEST : TD - Toxic dose (other than lowest) ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 30 mg/kg/78W-C TOXIC EFFECTS : Tumorigenic - equivocal tumorigenic agent by RTECS criteria Liver - tumors Endocrine - thyroid tumors REFERENCE : CRNGDP Carcinogenesis (London). (Oxford Univ. Press, Pinkhill House, Southfield Road, Eynsham, Oxford OX
TYPE OF TEST : TD - Toxic dose (other than lowest) ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 4200 mg/kg/20W-C TOXIC EFFECTS : Tumorigenic - equivocal tumorigenic agent by RTECS criteria Liver - tumors Tumorigenic - cells (cultured) transformed REFERENCE : CALEDQ Cancer Letters (Shannon, Ireland). (Elsevier Scientific Pub. Ireland Ltd., POB 85, Limerick, Ireland) V.1- 1975- V
TYPE OF TEST : LDLo - Lowest published lethal dose ROUTE OF EXPOSURE : Subcutaneous SPECIES OBSERVED :
TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intraperitoneal SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 116 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : FATOAO Farmakologiya i Toksikologiya (Moscow). For English translation, see PHTXA6 and RPTOAN. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.2- 1939- Volume(issue)/page/year: 53(4),19,1990
TYPE OF TEST : LDLo - Lowest published lethal dose ROUTE OF EXPOSURE : Or
TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intraperitoneal SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 151 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 30,477,1980
TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - rabbit DOSE/DURATION : 185 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : NUPOBT Neuropatologia Polska. (Ars-Polona, POB 1001, 00-068 Warsaw 1, Poland) V.1- 1963- Volume(issue)/page/year: 15,545,1977
TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Mammal - dog DOSE/DURATION : 150 mg/kg TOXIC EFFECTS : Behavioral - somnolence (general depressed activity) REFERENCE : SMWOAS Schweizerische Medizinische Wochenschrift. (Schwa
TYPE OF TEST : Cytogenetic analysis TEST SYSTEM : Human Leukocyte DOSE/DURATION : 400 mg/L/90M REFERENCE : CHDDAT Comptes Rendus des Seances de l'Academie des Sciences, Serie D: Sciences Naturelles. (Paris, France) V.262-291, 1966-80. For publisher information, see CRASEV. Volume(issue)/page/year: 268,191,1969
TYPE OF TEST : Mutation in mammalian somatic cells TEST SYSTEM : Human Lymphocyte DOSE/DURATION : 1 gm/L REFERENCE : PMRSDJ Progress in Mutation Research. (Elsevier Science Pub. Co., Inc., 52 Vanderbilt Ave., New York, NY 10017) V.1- 1981- Volume(issue)/page/year: 5,497,1985
TYPE OF TEST : Mutation in microorganisms TEST SYSTEM : Yeast - Saccharomyces cerevisiae DOSE/DURATION : 500 mg/L REFERENCE : PMRSDJ Progress in Mutation Research. (Elsevier Science Pub. Co., Inc., 52 Vanderbilt Ave., New York, NY 10017) V.1- 1981- Volume(issue)/page/year: 5,271,1985
TYPE OF TEST : Mutation test systems - not otherwise specified TEST SYSTEM : Bacteria - Salmonella typhimurium DOSE/DURATION : 1 gm/L REFERENCE : MUREAV Mutation Research.
TYPE OF TEST : Sister chromatid exchange TEST SYSTEM : Rodent - hamster Lung DOSE/DURATION : 10 mg/L REFERENCE : BJCAAI British Journal of Cancer. (Macmillan Press Ltd., Houndmills, Basingstoke, Hants. RG21 2XS, UK) V.1- 1947- Volume(issue)/page/year: 45,769,1982
TYPE OF TEST : Morphological transformation TEST SYSTEM : Rodent - hamster Embryo DOSE/DURATION : 100 mg/L REFERENCE : PMRSDJ Progress in Mutation Research. (Elsevier Science Pub. Co., Inc., 52 Vanderbilt Ave., New York, NY 10017) V.1- 1981- Volume(issue)/page/year: 5,665,1985
TYPE OF TES
TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Human - woman DOSE : 151 mg/kg SEX/DURATION : female 27-39 week(s) after conception TOXIC EFFECTS : Reproductive - Specific Developmental Abnormalities - musculoskeletal system Reproductive - Effects on Newborn - drug dependence REFERENCE : JOPDAB Journal of Pediatrics. (C.V. Mosby Co., 11830 Westline Industrial Dr., St. Louis, MO 63141) V.1- 1932- Volume(issue)/page/year: 80,190,1972
TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Human - woman DOSE : 3600 ug/kg SEX/DURATION : female 26 week(s) after conception TOXIC EFFECTS : Reproductive - Specific Developmental Abnormalities - hepatobiliary system Reproductive - Effects on Newborn - biochemical and metabolic REFERENCE : AJOGAH American Journal of Obstetrics and Gynecology. (C.V. Mosby Co., 11830 Westline Industrial Dr., St. Louis, MO 63146) V.1- 1920- Volume(issue)/page/year: 159,1491,1988
TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Unreported SPECIES OBSERVED : Human - woman DOSE : 529 mg/kg SEX/DURATION : female 1-42 week(s) after conception TOXIC EFFECTS : Reproductive - Specific Developmental Abnormalities - gastrointestinal system REFERENCE : LANCAO Lancet. (7 Adam St., London WC2N 6AD, UK) V.1- 1823- Volume(issue)/page/year: 2,839,1972
TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - rat DOSE : 800 mg/kg SEX/DURATION : female 6-13 day(s) after conception TOXIC EFFECTS : Reproductive - Effects on Embryo or Fetus - fetal death RE
其他信息
- Sigma Aldrich:50-06-6(sigmaaldrich)
- 方法二:苯乙酸乙酯与碳酸二乙酯、乙醇钠缩合后得到苯基乙基丙二酸二乙酯，再与尿素环合，即生成苯巴比妥。
- 类别:有毒物质
- 毒性分级:高毒
- 可燃性危险特性:可燃, 燃烧时分解有毒氮氧化物气体
- 用途一:医药研究，临床作为镇静催眠类药。
- 方法一:在醇钠作用下苯乙酸乙酯与草酸二乙酯缩合，再加热脱除CO, 制得2-苯基丙二酸二乙酯，后者在碱性下与溴乙烷反应引入乙基，最后与脲缩合制得。
- 灭火剂:水, 二氧化碳, 干粉, 泡沫
- 急性毒性:口服- 大鼠 LD50 162 毫克/ 公斤; 腹腔- 小鼠 LD50: 88 毫克/公斤
- 上游原料:尿素 --> 草酸二乙酯 --> 乙醇钠 --> 溴乙烷 --> 碳酸二乙酯 --> 苯乙酸乙酯 --> 2-苯乙酰胺 --> 苯基乙基丙二酸二乙酯 --> 苯基丙二酸二乙酯
- MSDS 信息:Phenobarbital(50-06-6).msds
- 储运特性:库房低温, 通风, 干燥; 与食品原料分开存放
- MOL 文件:50-06-6.mol
- 用途二:长效类嘏比妥类催眠药。具有镇静、催眠、抗癫痫及抗惊厥作用。小剂量镇静，中剂量催眠，大剂量抗惊厥。用于治疗失眠、癫痫及焦虑症等。
- 参考质量标准:含量≥99.0%，mp174-178℃，检测氢氧化钠溶解试验、苯巴比妥酸、干燥失重和灼烧残渣等杂质含量。
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