51-71-8

• 常用中文名：苯乙肼
• 常用英文名：Phenelzine
• CAS号：51-71-8
• 分子式：C₈H₁₂N₂
• 分子量：136.194
• 相关类别： 原料药 神经系统用药 抗抑郁、躁狂药
• 发布时间：2018-02-03 08:00:00
• 更新时间：2024-01-02 21:12:20
• Phenelzine是一种非选择性和不可逆的单胺氧化酶抑制剂 (MAOI), 用作抗抑郁药和抗焦虑药。

名称

• 中文名: 苯乙肼
• 英文名: 2-phenylethylhydrazine
• 中文别名: 2-苯乙基肼
• 英文别名: MFCD00047825; Fenelzina; 2-Phenelzine; Phenalzine; Phenelzine; (2-Phenethyl)hydrazine; Hydrazine,(2-phenylethyl); (2-Phenylethyl)hydrazine; Nardil; 1-(2-Phenethyl)hydrazine; Fenelzyne; b-Phenylethylhydrazine; Hydrazine, (2-phenylethyl)-; Phenelzinum; Fenelzyna; phenethyl hydrazine; N-(2-phenylethyl)hydrazine; EINECS 200-117-9

物化性质

• 密度: 1.0±0.1 g/cm3
• 沸点: 281.4±19.0 °C at 760 mmHg
• 分子式: C₈H₁₂N₂
• 分子量: 136.194
• 闪点: 143.7±25.1 °C
• 精确质量: 136.100052
• PSA: 38.05000
• LogP: 1.14
• 蒸汽压: 0.0±0.6 mmHg at 25°C
• 折射率: 1.550
• 储存条件: 2-8℃
• 计算化学:

  1.疏水参数计算参考值（XlogP）:无

  2.氢键供体数量:2

  3.氢键受体数量:2

  4.可旋转化学键数量:3

  5.互变异构体数量:无

  6.拓扑分子极性表面积38

  7.重原子数量:10

  8.表面电荷:0

  9.复杂度:77.3

  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

生物活性

• 描述: Phenelzine是一种非选择性和不可逆的单胺氧化酶抑制剂 (MAOI), 用作抗抑郁药和抗焦虑药。
• 相关类别:
  信号通路 >> 神经信号通路 >> 单胺氧化酶
  研究领域 >> 神经疾病

毒性和生态

CHEMICAL IDENTIFICATION RTECS NUMBER : MV8400000 CHEMICAL NAME : Hydrazine, phenethyl- CAS REGISTRY NUMBER : 51-71-8 BEILSTEIN REFERENCE NO. : 0742354 LAST UPDATED : 199801 DATA ITEMS CITED : 11 MOLECULAR FORMULA : C8-H12-N2 MOLECULAR WEIGHT : 136.22 WISWESSER LINE NOTATION : ZM2R HEALTH HAZARD DATA ACUTE TOXICITY DATA TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Human - woman DOSE/DURATION : 39600 ug/kg/44D-I TOXIC EFFECTS : Behavioral - hallucinations, distorted perceptions Behavioral - toxic psychosis Behavioral - muscle contraction or spasticity TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Human - child DOSE/DURATION : 7500 ug/kg TOXIC EFFECTS : Behavioral - ataxia Behavioral - somnolence (general depressed activity) TYPE OF TEST : LDLo - Lowest published lethal dose ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Human - woman DOSE/DURATION : 30 mg/kg TOXIC EFFECTS : Lungs, Thorax, or Respiration - acute pulmonary edema Liver - fatty liver degeneration TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 130 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 : 135 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 : Subcutaneous SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 122 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 : 450 mg/kg SEX/DURATION : male 4 day(s) pre-mating female 4 day(s) pre-mating - 10 day(s) after conception TOXIC EFFECTS : Reproductive - Fertility - female fertility index (e.g. # females pregnant per # sperm positive females; # females pregnant per # females mated) Reproductive - Fertility - male fertility index (e.g. # males impregnating females per # males exposed to fertile nonpregnant females) TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Oral DOSE : 175 mg/kg SEX/DURATION : female 16-22 day(s) after conception TOXIC EFFECTS : Reproductive - Effects on Newborn - stillbirth Reproductive - Effects on Newborn - viability index (e.g., # alive at day 4 per # born alive) TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Oral DOSE : 250 mg/kg SEX/DURATION : female 7-16 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 : 200 mg/kg SEX/DURATION : female 10-17 day(s) after conception TOXIC EFFECTS : Reproductive - Effects on Embryo or Fetus - fetal death MUTATION DATA TEST SYSTEM : Rodent - mouse DOSE/DURATION : 38800 ug/kg/24H REFERENCE : IMSCE2 IRCS Medical Science. (Lancaster, UK) V.12-14, 1984-86. For publisher information, see MSCREJ. Volume(issue)/page/year: 14,1052,1986

安全

• 危害码 (欧洲): Xi: Irritant;
• 海关编码: 2928000090

合成路线

622-24-2 ~% 51-71-8

文献：Votocek; Leminger Collection of Czechoslovak Chemical Communications, 1932 , vol. 4, p. 271,273, 280

103-63-9 ~% 51-71-8

文献：Szmuszkovicz,J.; Greig,M.E. Journal of Medicinal and Pharmaceutical Chemistry, 1961 , vol. 4, p. 259 - 296

60-12-8 ~% 51-71-8

文献：Votocek; Leminger Collection of Czechoslovak Chemical Communications, 1932 , vol. 4, p. 271,273, 280

上下游产品

上游产品  3
622-24-2 103-63-9 60-12-8
下游产品  6
64-04-0 3473-12-9 69382-00-9 91907-97-0
93138-87-5 647024-00-8

海关

海关编码	2928000090
中文概述	2928000090 其他肼（联氨）及胲（羟胺）的有机衍生物。监管条件:无。增值税率:17.0%。退税率:9.0%。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	2928000090 other organic derivatives of hydrazine or of hydroxylamine VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:20.0%