117-89-5

• 常用中文名：三氟拉嗪
• 常用英文名：Trifluoperazine
• CAS号：117-89-5
• 分子式：C₂₁H₂₄F₃N₃S
• 分子量：407.49600
• 相关类别： 原料药 神经系统用药 抗精神病药
• 发布时间：2018-05-14 08:00:00
• 更新时间：2024-01-02 12:28:59

名称

• 中文名: 三氟拉嗪
• 英文名: trifluoperazine
• 中文别名: 10-[3-(4-甲基哌嗪-1-基丙基]-2-三氟甲基-10H-吩噻嗪; 三氟比拉嗪
• 英文别名: Trifluperazine; Trifluoperazina; triphthazine dihydrochloride; EINECS 204-219-4; Flurazine; Triflurin; 10-[3-(4-methylpiperazin-1-yl)propyl]-2-(trifluoromethyl)phenothiazine; Triftazin; Trifluoroperazine; Triperazine; Stelazine; Trifluoperazin; NOVO-TRIFLUZINETM; trifluoroperazine hydrochloride; trifluoroperazine dihydrochloride

物化性质

• 密度: 1.239g/cm3
• 沸点: 506ºC at 760mmHg
• 熔点: 232°C
• 分子式: C₂₁H₂₄F₃N₃S
• 分子量: 407.49600
• 精确质量: 407.16400
• PSA: 35.02000
• LogP: 4.88640
• 外观性状: 白色至淡黄色结晶粉末
• 蒸汽压: 2.32E-10mmHg at 25°C
• 分子结构:

  1、 摩尔折射率：108.15

  2、 摩尔体积（cm³/mol）：328.7

  3、 等张比容（90.2K）：828.8

  4、 表面张力（dyne/cm）：40.3

  5、 极化率（10-24cm3）：42.87

• 计算化学:

  1.疏水参数计算参考值（XlogP）:无

  2.氢键供体数量:0

  3.氢键受体数量:7

  4.可旋转化学键数量:4

  5.互变异构体数量:无

  6.拓扑分子极性表面积35

  7.重原子数量:28

  8.表面电荷:0

  9.复杂度:510

  10.同位素原子数量:0

  11.确定原子立构中心数量:0

  12.不确定原子立构中心数量:0

  13.确定化学键立构中心数量:0

  14.不确定化学键立构中心数量:0

  15.共价键单元数量:1

毒性和生态

CHEMICAL IDENTIFICATION RTECS NUMBER : SP1500000 CHEMICAL NAME : Phenothiazine, 10-(3-(4-methyl-1-piperazinyl)propyl)-2-(trifluoromet hyl)- CAS REGISTRY NUMBER : 117-89-5 LAST UPDATED : 199512 DATA ITEMS CITED : 24 MOLECULAR FORMULA : C21-H24-F3-N3-S MOLECULAR WEIGHT : 407.54 WISWESSER LINE NOTATION : T C666 BN ISJ EXFFF B3- AT6N DNTJ D1 HEALTH HAZARD DATA ACUTE TOXICITY DATA TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 1350 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intraperitoneal SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 120 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intravenous SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 29 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Oral DOSE : 50 mg/kg SEX/DURATION : female 6-15 day(s) after conception TOXIC EFFECTS : Reproductive - Effects on Embryo or Fetus - fetotoxicity (except death, e.g., stunted fetus) TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Oral DOSE : 1 gm/kg SEX/DURATION : female 6-15 day(s) after conception TOXIC EFFECTS : Reproductive - Fertility - post-implantation mortality (e.g. dead and/or resorbed implants per total number of implants) Reproductive - Specific Developmental Abnormalities - craniofacial (including nose and tongue) TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Subcutaneous DOSE : 8160 ug/kg SEX/DURATION : female 51 day(s) pre-mating TOXIC EFFECTS : Reproductive - Effects on Newborn - behavioral TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Subcutaneous DOSE : 20 mg/kg SEX/DURATION : female 3 day(s) after conception TOXIC EFFECTS : Reproductive - Fertility - pre-implantation mortality (e.g. reduction in number of implants per female; total number of implants per corpora lutea) TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Subcutaneous DOSE : 76 ug/kg SEX/DURATION : male 1 day(s) pre-mating TOXIC EFFECTS : Reproductive - Paternal Effects - other effects on male Endocrine - differential effect of sex or castration on observed toxicity TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Unreported DOSE : 8250 ug/kg SEX/DURATION : female 25 day(s) pre-mating TOXIC EFFECTS : Reproductive - Effects on Newborn - growth statistics (e.g.%, reduced weight gain) TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Oral DOSE : 1035 mg/kg SEX/DURATION : female 6-14 day(s) after conception TOXIC EFFECTS : Reproductive - Fertility - post-implantation mortality (e.g. dead and/or resorbed implants per total number of implants) Reproductive - Fertility - litter size (e.g. # fetuses per litter; measured before birth) Reproductive - Effects on Embryo or Fetus - fetotoxicity (except death, e.g., stunted fetus) TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Oral DOSE : 518 mg/kg SEX/DURATION : female 6-14 day(s) after conception TOXIC EFFECTS : Reproductive - Specific Developmental Abnormalities - other developmental abnormalities TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Oral DOSE : 400 mg/kg SEX/DURATION : female 6-13 day(s) after conception TOXIC EFFECTS : Reproductive - Fertility - post-implantation mortality (e.g. dead and/or resorbed implants per total number of implants) TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Oral DOSE : 4 mg/kg SEX/DURATION : female 6-13 day(s) after conception TOXIC EFFECTS : Reproductive - Fertility - other measures of fertility TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Subcutaneous DOSE : 1 mg/kg SEX/DURATION : female 3 day(s) after conception TOXIC EFFECTS : Reproductive - Fertility - other measures of fertility TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Unreported DOSE : 120 mg/kg SEX/DURATION : female 1 day(s) pre-mating TOXIC EFFECTS : Reproductive - Fertility - other measures of fertility TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Unreported DOSE : 8 mg/kg SEX/DURATION : female 1 day(s) pre-mating TOXIC EFFECTS : Reproductive - Fertility - other measures of fertility TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Oral DOSE : 144 mg/kg SEX/DURATION : female 8-16 day(s) after conception TOXIC EFFECTS : Reproductive - Effects on Embryo or Fetus - fetal death Reproductive - Specific Developmental Abnormalities - other developmental abnormalities TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Oral DOSE : 36 mg/kg SEX/DURATION : female 8-16 day(s) after conception TOXIC EFFECTS : Reproductive - Effects on Newborn - growth statistics (e.g.%, reduced weight gain) MUTATION DATA TYPE OF TEST : Host-mediated assay TEST SYSTEM : Rodent - mouse Bacteria - Salmonella typhimurium DOSE/DURATION : 144 mg/kg REFERENCE : INJHA9 Indian Journal of Heredity. (Genetic Assoc. of India, Indian Veterinary Research Institute, Izatnagar, India) V.1- 1969- Volume(issue)/page/year: 12,21,1980 *** REVIEWS *** TOXICOLOGY REVIEW JMSCA9 Journal of Mental Science. (London, UK) V.4-108, 1857-1962. For publisher information, see BJPYAJ. Volume(issue)/page/year: 106,755,1960 TOXICOLOGY REVIEW IDPYAK Industrial Pharmacology. (Mount Kisco, NY) V.1-3, 1974-79. Discontinued. Volume(issue)/page/year: 1,203,1974 TOXICOLOGY REVIEW ARVPAX Annual Review of Pharmacology. (Palo Alto, CA) V.1-15, 1961-75. For publisher information, see ARPTDI. Volume(issue)/page/year: 5,447,1965

安全

• 海关编码: 2934300000

合成路线

109-01-3 939382-31-7 ~% 117-89-5

文献：Bioorganic and Medicinal Chemistry Letters, , vol. 17, # 11 p. 3014 - 3017

92-30-8 ~% 117-89-5

文献：Bioorganic and Medicinal Chemistry Letters, , vol. 17, # 11 p. 3014 - 3017

上下游产品

上游产品  2
109-01-3 92-30-8
下游产品  2
1549-88-8 165602-90-4

海关

海关编码	2934300000
中文概述	2934300000. 含一个吩噻嗪环系的化合物(吩噻嗪环系不论是否氢化,化合物未经进一步稠合的 ). 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:6.5%. 普通关税:20.0%
申报要素	品名, 成分含量, 用途
Summary	2934300000. other compounds containing in the structure a phenothiazine ring-system (whether or not hydrogenated), not further fused. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%