Haloperidol 4-(4-(4-氯苯基)-4-羟基哌啶-1-基)-1-(4-氟苯基)丁-1-酮
CAS 52-86-8 MFCD00051423
化学结构图
SMILES: O=C(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccc(F)cc1
化学属性
| Mol. Formula | C21H23ClFNO2 |
|---|---|
| Mol. Weight | 376 |
| TSCA | No |
| Appearance | 白色或类白色结晶性粉末。熔点148-149.4℃。溶于氯仿、甲醇、丙酮、苯、稀酸，在水中的溶解度1.4mg/100ml，微溶于乙醚。无臭、无味。 powder |
| Solubility | 45% (w/v) aq 2-hydroxypropyl-β-cyclodextrin: 0.39 mg/mL |
| Melting Point | 150.0 to 153.0 deg-C |
| Density | 1.3 |
别名和识别编码
| Chemical Name | Haloperidol |
|---|---|
| CAS Number | 52-86-8 |
| Synonym | 1- 1-(4-氟苯基)-4-[4-(4-氯苯基)-4-羟基-1-哌啶基]-1-丁酮 1-butanone,4-(4-(4-chlorophenyl)-4-hydroxy-1-piperidinyl)-1-(4-fluorophen 4-(4-(p-Chlorophenyl)-4-hydroxypiperidi 4-(4-(p-chlorophenyl)-4- 4-(4-(p-chlorophenyl)-4-hydroxypiperidino)-4’-fluorobutyrophenone 4-(4-(para-Chlorophenyl 4-(4-Hydroxy-4'-chloro-4-phenylpiperidino)-4'-fluorobutyrophenone 4-(4-hydroxy-4’-chloro-4-phenylpiperidino)-4’-fluorobutyrophenone 4-[4-(4-CHLOROPHENYL)-4-HYDROXY-1-PIPERIDINYL]-1-(4-FLUOROPHENYL)-1-BUTANONE 4-[4-(4-CHLOROPHENYL)-4-HYDROXYPIPERIDINO 4-[4-(4-Chlorophenyl 4-[4-(4-Chlorophenyl)-4-hydroxy-1-piperidinyl]-1-(4-fluorophenyl)-1-butanone 4-[4-(4-Chlorophenyl)-4-hydroxy-1-piperidinyl]-1-(4-fluorophenyl)-1-butanone 4-[4-(4-Chlorophenyl)-4-hydroxypiperidino]-4'-fluorobutyrophenone 4-[4-(p-Chlorophenyl)-4-hydroxypiperidino]-4'-fluorobutyrophenone 4-[4-(4-Chlorophenyl)-4-hydroxy-1-piperidinyl]-1-(4-fluorophenyl)-1-butanone; 4-[4-(4-Chlorophenyl)-4-hydroxypiperidino]-4'-fluorobutyrophenone 4-[4-(4-Chlorophenyl)-4-hydroxy-1-piperidinyl]-4’-(4-flurophenyl)-1-butanone 4-[4-(4-Chlorophenyl)-4-hydroxypiperidino]-4'-fluorobutyrophenone 4-[4-(p-Chlorophenyl)-4-hydroxypiperidino]-4'-fluorobutyrophenone 4’-fluoro-4-(4-(p-chlorophenyl)-4-hydroxypiperidino)-butyrophenon 4’-fluoro-4-(4-(p-chlorophenyl)-4-hydroxypiperidinyl)bu 4’-fluoro-4-(4-hydroxy-4-(4’-chlorophenyl)piperidino)butyrophenone AKOS 91337 Aldo Aloperidin Bioperidolo Brotopon Einalon S HALOPERIDOL R-1625 卤吡醇 氟哌丁苯 氟哌丁苯,氟哌啶醇 氟哌啶醇 氟哌醇 |
| MDL Number | MFCD00051423 |
| PubChem Substance ID | 87571270 |
| EC Number | 200-155-6 |
| Merck Number | 4598 |
| Reaxys-RN | 331267 |
| Beilstein Registry Number | 21(5)2,377 |
| Chemical Name Translation | 4-(4-(4-氯苯基)-4-羟基哌啶-1-基)-1-(4-氟苯基)丁-1-酮 |
| Wiswesser Line Notation | T6NTJ A3VR DF& DQ DR DG |
| LabNetwork Molecule ID | LN00194137 |
| InChI | InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2 |
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专业采购外包团队在线服务
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分类
- {SNA} Antagonists, Application Index, Approved Therapeutics/Drug Candidates, Bioactive Small Molecules, Biochemicals and Reagents, Cell Biology, Cell Signaling Enzymes, Cell Signaling and Neuroscience, Dopaminargics - Antagonists, Dopaminergics, Enzymes, Inhibitors, and Substrates, GPCR Modulators, GPCR Proteins, Modulators and Antibodies, H, Inhibitors, Johnson & Johnson, Membrane Protein Biology Tools, Neuroscience, Neurotransmission, Neurotransmitters, Proteins and Derivatives, Substrates, Xenobiotics and Drug Metabolism
- {SNA} Antagonists, Application Index,
- {SNA} Analytic
产品应用
- 丁酰苯类抗精神病药（Butyrophenone antipsychotic）， D2, D3, 和 D4 多巴胺受体拮抗物。该品为丁酰苯类抗精神病药中最常用的药物，且列入《国家基本药物目录》,过去称为强安定剂，主要用于控制精神分裂证及其他具有幻觉、妄想、兴奋、冲动等症关的疾病,氟哌啶醇主要用于抗急、慢性精神分裂证的躁狂和幻觉，对控制兴奋躁动效果显著，但对精神分裂症的抑郁和淡漠无效,大鼠口服LD50为165mg/kg。
相关文献及参考
- [2]. Shah NS, et al. Effects of chlorpromazine and haloperidol on the disposition of mescaline-14C in mice. J Pharmacol Exp Ther. 1973 Aug;186(2):297-304
- Janicki, C.A., et al.: Anal. Profiles Drug Subs., 9, 341 (1980),
- [1]. Furuta Y, et al. Effects of enzyme inhibitors of catecholamine metabolism and of haloperidol on the pancreatic secretion induced by L-DOPA and by dopamine in dogs. Br J Pharmacol. 1973 Jan;47(1):77-84
- [1]. Furuta Y, et al. Effects of enzyme inhibitors of catecholamine metabolism and of haloperidol on the pancreatic secretion induced by L-DOPA and by dopamine in dogs. Br J Pharmacol. 1973 Jan;47(1):77-84
- [2]. Shah NS, et al. Effects of chlorpromazine and haloperidol on the disposition of mescaline-14C in mice. J Pharmacol Exp Ther. 1973 Aug;186(2):297-304
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。
- 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。
- P263 Avoid contact during pregnancy/while nursing. 怀孕/哺乳期间避免接触。
- 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。
- 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。
- P301+P310+P330
- P302+P350
- P302+P352+P332+P313+P362+P364
- P305+P351+P338+P337+P313
- P308+P311
- P332+P313
- P337+P313
- P362 Take off contaminated clothing and wash before reuse. 脱掉污染的衣服，清洗后方可重新使用
- P405 Store locked up. 上锁保管。
- P501 Dispose of contents/container to..… 处理内容物/容器.....
- H301 Toxic if swallowed 吞食有毒
- H315 Causes skin irritation 会刺激皮肤
- H317 May cause an allergic skin reaction 可能导致皮肤过敏
- H319 Causes serious eye irritation 严重刺激眼睛
- H335 May cause respiratory irritation 可能导致呼吸道刺激
- H361 Suspected of damaging fertility or the unborn child 怀疑对生育能力或未出生婴儿造成伤害
- S26 In case of contact with eyes, rinse immediately with plenty of water and seek medical advice 眼睛接触后，立即用大量水冲洗并征求医生意见；
- S53 Avoid exposure - obtain special instructions before use 避免接触，使用前获得特别指示说明；
- 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）；
- S36/37/39 Wear suitable protective clothing, gloves and eye/face protection 穿戴适当的防护服、手套和眼睛/面保护；
- S24 Avoid contact with skin 避免皮肤接触；
- S20 When using do not eat or drink 使用时，不得进食，饮水；
- S37 Wear suitable gloves 戴适当手套；
- S60 This material and its container must be disposed of as hazardous waste 该物质及其容器必须作为危险废物处置；
- R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
- R61 May cause harm to the unborn child 可能对未出生的婴儿导致伤害
- R60 May impair fertility 可能降低生殖能力
- R25 Toxic if swallowed 吞咽有毒
- R43 May cause sensitisation by skin contact 皮肤接触会产生过敏反应
TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Intraperitoneal SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 25 mg/kg/5D-C TOXIC EFFECTS : Tumorigenic - Carcinogenic by RTECS criteria Liver - tumors Blood - leukemia REFERENCE : CRNGDP Carcinogenesis (London). (Oxford Univ. Press, Pinkhill House, Southfield Road, Eynsham, Oxford OX8 1JJ, UK) V.1- 1980- Volume(issue)/page/year: 3,223,1982
TYPE OF TEST : TD - Toxic dose (other than lowest) ROUTE OF EXPOSURE : Intraperitoneal SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 50 mg/kg/10D-C TOXIC EFFECTS : Tumorigenic - Carcinogenic by RTECS criteria Gastrointestinal - tumors Blood - leukemia REFERENCE : CRNGDP Carcinogenesis (London). (Oxford Univ. Press, Pinkhill House, Southfield Road, Eynsham, Oxford OX8 1JJ, UK) V.1- 1980- Volume(issue)/page/year: 3,223,1982
TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 128 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: 24,45,1974
TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Subcutaneous SPECIES OBSERVED : Primate - monkey DOSE/DURATION : >1250 ug/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: 11,932,1961
TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE
{hazTYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Unreported SPECIES OBSERVED : Human - infant DOSE/DURATION : 280 ug/kg TOXIC EFFECTS : Behavioral - excitement Behavioral - irritability Behavioral - aggression REFERENCE : APAEEL Acta Paediatrica. (Scandinavian University Press, POB 2959 Toeyen, N-0608 Oslo, Norway) V.81- 1992
TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Mammal - species unspecified DOSE/DURATION : 80 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : DANKAS Doklady Akademii Nauk SSSR. Proceedings of the Academy of Sciences of the USSR. For English translation, see DBIOAM and DKBSAS. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1- 1933- Volum
TYPE OF TEST : Cytogenetic analysis TEST SYSTEM : Human Fibroblast DOSE/DURATION : 10 gm/L REFERENCE : AMBUCH Acta Medica Bulgarica. (Durzhavno Izdatelstvo Meditsina i Fizkultura, Pl. Slaveikov 11, Sofia, Bulgaria) V.1- 1973- Volume(issue)/page/year: 6,42,1979
TYPE OF TEST : Sex chromosome loss and nondisjunction ROUTE OF EXPOSURE : Oral TEST SYSTEM : Insect - Drosophila melanogaster DOSE/DURATION : 200 mg REFERENCE : SOGEBZ Soviet Genetics. English translation of GNKAA5. (Plenum Pub. Corp., 233 Spring St., New York, NY 10013) V.2- 1966- Volume(issue)/page/year: 7,1042,1971
TYPE OF TEST : Mutation in microorganisms TEST SYSTEM : Bacteria - Salmonella typhimurium DOSE/DURATION : 100 nmol/plate REFERENCE : CRNGDP Carcinogenesis (London). (Oxford Univ. Press, Pinkhill House, Southfield Road, Eynsham, Oxford OX8 1JJ, UK) V.1- 1980- Volume(issue)/page/year: 3,223,1982
TYPE OF TEST : Sister chromatid exchange ROUTE OF EXPOSURE : Intraperitoneal TEST SYSTEM : Rodent - mouse DOSE/DURATION : 285 ug/kg REFERENCE : EMMUEG Environmental and Molecular Mutagenesis. (Alan R. Liss, Inc., 41 E. 11th St., New York, NY 10003) V.10- 1987- Volume(issue)/page/year: 10,433,1987
TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - mouse DOSE : 10500 ug/kg SEX/DURATION : female 8-14 day(s) after conception TOXIC EFFECTS : Reproductive - Fertility - post-implantation mortality (e.g. dead and/or resorbed implants per total number of implants) REFERENCE : ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 18,1420,1968
TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - rat DOSE : 60 mg/kg SEX/DURATION : female 1-12 day(s) after conception TOXIC EFFECTS : Reproductive - Maternal Effe
TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Subcutaneous SPECIES OBSERVED : Rodent - rat DOSE : 70 mg/kg SEX/DURATION : female 6-12 day(s) after conception TOXIC EFFECTS : Reproductive - Specific Developmental Abnormalities - eye/ear REFERENCE : ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 18,1420,1968
TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - mouse DOSE : 21 mg/kg SEX/DURATION : female 6-12 day(s) after conception TOXIC EFFECTS : Reproductive - Fertility - litter size (e.g. # fetuses per litter; measured before birth) REFERENCE : ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 18,1
TYPE OF TES
其他信息
- 氟哌啶醇价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 H0912 氟哌啶醇 Haloperidol 5G 874元 2014/06/02 H0912 氟哌啶醇 Haloperidol 25G 2470元
- TCI Shanghai:氟哌啶醇 Haloperidol,>;98.0%(LC)(T)(52-86-8)
- 方法一:由4-对氯苯-4-羟基哌（见09670）与γ-氯代对氟苯丁酮缩合而得。中间体γ-氯代氟苯丁酮是由氟苯、γ-丁内酯、氯化亚砜为原料制得（见09060）。
- Sigma Aldrich:52-86-8(sigmaaldrich)
- 用途一:该品为丁酰苯类抗精神病药中最常用的药物，且列入《国家基本药物目录》。抗精神病药物，过去称为强安定剂，主要用于控制精神分裂证及其他具有幻觉、妄想、兴奋、冲动等症关的疾病。氟哌啶醇主要用于抗急、慢性精神分裂证的躁狂和幻觉，对控制兴奋躁动效果显著，但对精神分裂症的抑郁和淡漠无效。大鼠口服LD50为165mg/kg。
- 溶于氯仿、甲醇、乙醇、丙酮、苯、稀酸和DMSO，在水中的溶解度1.4mg/100ml，微溶于乙醚,无臭、无味，无臭，无味，几乎不溶于水，其盐酸盐易溶于水。
- 图谱信息:氟哌啶醇(52-86-8)红外图谱(IR1) 氟哌啶醇(52-86-8)核磁图( 13 CNMR) 氟哌啶醇(52-86-8)质谱(MS) 氟哌啶醇(52-86-8)红外图谱(IR2) 氟哌啶醇(52-86-8)核磁图( 1 HNMR)
- 氟哌啶醇价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2011/04/16 H0912 氟哌啶醇 Haloperidol 5G 721元 2011/04/16 H0912 氟哌啶醇 Haloperidol 25G 2030元
- MOL 文件:52-86-8.mol
- 抗精神病药:氟哌啶醇属于丁酰苯类抗精神病药，又名氟哌丁苯、氟哌醇、卤吡醇，主要用于治疗各种急、慢性精神分裂症，躁狂症，反应性精神病及其他具有兴奋、躁动幻觉、妄想等症状的重症精神病，特别是急性青光眼和伴有攻击行为的偏执型精神分裂症，因本品心血管系不良反应较少，也可用于脑器质性精神障碍、焦虑性神经症和老年性精神障碍。 其药理作用与酚噻嗪类抗精神分裂药类似，通过阻断脑内多巴胺受体，抑制多巴胺神经原的效应，从而增快和增多脑内多巴胺的转化。有很好的抗幻觉妄想和抗兴奋躁动作用,阻断锥体外系多巴胺的作用较强,镇吐作用亦较强,但镇静、阻断肾上腺素受体及胆碱受体作用较弱，这就需要与其它药物进行配合服用。此外，还可阻断植物神经系统的α肾上腺素受体。产生相应的生理影响。 氟哌啶醇口服后有70%被吸收，血浆蛋白结合率高。3～6小时血药浓度达峰值。半衰期约为21小时，在肝内代谢，随尿排泄。 其他常见丁酰苯类抗精神病药:苯哌利多、三氟哌啶醇、氟司必林、五氟利多。
- color:white
- MSDS 信息:4-[4-(4-Chlorophenyl)-4-hydroxy-1-piperidinyl]-1-(4-fluorophenyl)-1-butanone(52-86-8).msds
- 用途二:丁酰苯类抗精神病药（Butyrophenone antipsychotic）， D2, D3, 和 D4 多巴胺受体拮抗物。该品为丁酰苯类抗精神病药中最常用的药物，且列入《国家基本药物目录》,过去称为强安定剂，主要用于控制精神分裂证及其他具有幻觉、妄想、兴奋、冲动等症关的疾病,氟哌啶醇主要用于抗急、慢性精神分裂证的躁狂和幻觉，对控制兴奋躁动效果显著，但对精神分裂症的抑郁和淡漠无效,大鼠口服LD50为165mg/kg。
- 上游原料:氧氯化硫 --> gamma-丁内酯 --> 氟化苯 --> 苯丁酮
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