CAS 52-86-8 MFCD00051423-Haloperidol 4-(4-(4-氯苯基)-4-羟基哌啶-1-基)-1-(4-氟苯基)丁-1-酮 TAO{mole}

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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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。

安全信息

GHS Symbol

Precautionary statements

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.....

Hazard statements

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

WGK Germany3

Signal word Danger

Hazard Codes T

Safety Statements

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；

Risk Statements

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

UN Number 2811 UN 2811 6.1/PG 3 UN2811

RTECSEU1575000

Packing GroupIII

Hazard Class6.1

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

{haz

TYPE 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