969-33-5

• 常用中文名：盐酸赛庚啶
• 常用英文名：cyproheptadine hydrochloride
• CAS号：969-33-5
• 分子式：C₂₁H₂₂ClN
• 分子量：323.859
• 相关类别： 原料药 抗变态反应药 抗组胺药
• 发布时间：2018-03-10 08:00:00
• 更新时间：2024-01-02 08:30:51
• Cyproheptadine是5-HT2受体拮抗剂,IC50为0.6 nM。
• 为H1受体拮抗剂，作用较氯苯那敏、异丙嗪强，并有中度抗5－羟色胺作用和抗胆碱作用。另外，临床发现，赛庚啶还有治疗流行性腮腺炎等多种新用途，研究表明盐酸赛庚啶的H1拮抗作用比扑尔敏强5倍以上。

名称

• 中文名: 盐酸赛庚啶
• 英文名: cyproheptadine hydrochloride (anhydrous)
• 英文别名: 4-(5H-dibenzo[a,d][7]annulen-5-ylidene)-1-methylpiperidine hydrochloride; Piperidine, 4- (5H-dibenzo[a,d]cyclohepten-5-ylidene)-1-methyl-, hydrochloride; periactinolhydrochloride; cyproheptadienehydrochloride; 4-(5H-Dibenzo[a,d][7]annulen-5-yliden)-1-methylpiperidinhydrochlorid; 4-(5H-dibenzo[a,d][7]annulén-5-ylidène)-1-méthylpipéridine chlorhydrate; piperidine, 4-(5H-dibenzo[a,d]cyclohepten-5-ylidene)-1-methyl-, hydrochloride; 4-(5H-Dibenzo[a,d]cyclohepten-5-ylidene)-1-methylpiperidine Hydrochloride; CYPROHEPTADINE HCL BP; peritol; ANAREXOL; Cyproheptadin; Piperidine,4-(5H-dibenzo[a,d]cyclohepten-5-ylidene)-1-methyl-, hydrochloride (1:1); periactinhydrochloride; MFCD00012538; cyproheptadine hydrochloride; CYPROHEPTADINE HCL; EINECS 213-535-1; Piperidine, 4-(5H-dibenzo[a,d]cyclohepten-5-ylidene)-1-methyl-, hydrochloride (1:1); periactinsyrup; 4-(5H-Dibenzo[a,d][7]annulen-5-ylidene)-1-methylpiperidine hydrochloride (1:1); nuran; 1-Methyl-4-(5-dibenzo[a,e]cycloheptatrienylidene)piperidine hydrochloride; 1-Methyl-4-(5H-dibenzo[a,e]cycloheptatrienylidene)piperidine Hydrochloride; Cyproheptadine (hydrochloride)

物化性质

• 沸点: 440.1ºC at 760mmHg
• 分子式: C₂₁H₂₂ClN
• 分子量: 323.859
• 闪点: 194.5ºC
• 精确质量: 323.144073
• PSA: 3.24000
• LogP: 5.43780
• 外观性状: 粉末
• 储存条件:

  保持容器密封，储存在阴凉，干燥的地方

• 稳定性:

  常温常压下稳定，避免强氧化剂接触

• 水溶解性: ethanol: soluble
• 分子结构:

  1、 摩尔折射率：91.59

  2、 摩尔体积（m³/mol）：257.5

  3、 等张比容（90.2K）：669.5

  4、 表面张力（dyne/cm）：45.6

  5、 极化率（10 ^-24cm ³）：36.31

• 计算化学:

  1.疏水参数计算参考值（XlogP）:无

  2.氢键供体数量:1

  3.氢键受体数量:1

  4.可旋转化学键数量:0

  5.互变异构体数量:无

  6.拓扑分子极性表面积3.2

  7.重原子数量:23

  8.表面电荷:0

  9.复杂度:423

  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:2

• 更多:

  1. 性状：未确定。

  2. 密度（g/mL,25/4℃）：未确定

  3. 相对蒸汽密度（g/mL,空气=1）：未确定

  4. 熔点（ºC）：未确定

  5. 沸点（ºC,常压）：未确定

  6. 沸点（ºC,5.2kPa）：未确定

  7. 折射率：未确定

  8. 闪点（ºC）：未确定

  9. 比旋光度（º）：未确定

  10. 自燃点或引燃温度（ºC）：未确定

  11. 蒸气压（kPa,25ºC）：未确定

  12. 饱和蒸气压（kPa,60ºC）：未确定

  13. 燃烧热（KJ/mol）：未确定

  14. 临界温度（ºC）：未确定

  15. 临界压力（KPa）：未确定

  16. 油水（辛醇/水）分配系数的对数值：未确定

  17. 爆炸上限（%,V/V）：未确定

  18. 爆炸下限（%,V/V）：未确定

  19. 溶解性：溶于乙醇

生物活性

• 描述: Cyproheptadine是5-HT2受体拮抗剂,IC50为0.6 nM。
• 相关类别:
  信号通路 >> G 蛋白偶联受体/G 蛋白 >> 5-HT受体
  信号通路 >> 神经信号通路 >> 5-HT受体
  研究领域 >> 神经疾病
• 参考文献:

  [1]. Honda, M., T. Nishida, and H. Ono, Tricyclic analogs cyclobenzaprine, amitriptyline and cyproheptadine inhibit the spinal reflex transmission through 5-HT(2) receptors. Eur J Pharmacol, 2003. 458(1-2): p. 91-9.

  [2]. Calka, O., et al., Effect of cyproheptadine on serum leptin levels. Adv Ther, 2005. 22(5): p. 424-8.

毒性和生态

毒理学数据: 1 、急性毒性：小鼠口经LD50： 69 mg/kg；大鼠LD50：295 mg/kg 2、 生殖毒性 大鼠生殖毒性试验：口经，母鼠怀孕后5-16天，60mg/kg。对胚胎和胎儿具有毒性作用（除了死亡，列入：抑制胎儿生长。） CHEMICAL IDENTIFICATION RTECS NUMBER : TM7050000 CHEMICAL NAME : Piperidine, 4-(5H-dibenzo(a,d)cyclohepten-5-ylidene)-1-methyl-, hydrochloride CAS REGISTRY NUMBER : 969-33-5 LAST UPDATED : 199707 DATA ITEMS CITED : 14 MOLECULAR FORMULA : C21-H21-N.Cl-H MOLECULAR WEIGHT : 323.89 WISWESSER LINE NOTATION : L C676 BYJ BU- DT6N DYTJ A1 &GH HEALTH HAZARD DATA ACUTE TOXICITY DATA TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Human - woman DOSE/DURATION : 7 mg/kg/4W-C TOXIC EFFECTS : Gastrointestinal - other changes Liver - jaundice, cholestatic Liver - liver function tests impaired TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 295 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 - rat DOSE/DURATION : 52400 ug/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 - rat DOSE/DURATION : >1 gm/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 : Oral SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 69 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 : 55300 ug/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 : 107 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 : 23 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 : Oral SPECIES OBSERVED : Rodent - guinea pig DOSE/DURATION : 216 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 : 60 mg/kg SEX/DURATION : female 5-16 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 : 250 mg/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 - homeostasis TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Oral DOSE : 40 mg/kg SEX/DURATION : female 13-20 day(s) after conception TOXIC EFFECTS : Reproductive - Specific Developmental Abnormalities - endocrine system MUTATION DATA TYPE OF TEST : Cytogenetic analysis TEST SYSTEM : Human Lymphocyte DOSE/DURATION : 2200 umol/L/24H (Continuous) REFERENCE : ZEKIA5 Zeitschrift fuer Kinderheilkunde. (Berlin, Ger.) V.1-120, 1910-75. For publisher information, see EJPEDT. Volume(issue)/page/year: 118,219,1974 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - X3187 No. of Facilities: 79 (estimated) No. of Industries: 1 No. of Occupations: 2 No. of Employees: 2047 (estimated) No. of Female Employees: 947 (estimated)

安全

• 危害码 (欧洲): Xn: Harmful;
• 风险声明 (欧洲): R22;R36/37/38
• 安全声明 (欧洲): 26-36
• 危险品运输编码: UN 2811
• WGK德国: 3
• RTECS号: TM7050000
• 包装等级: III
• 危险类别: 6.1(b)
• 海关编码: 2933399090

海关

海关编码	2933399090
中文概述	2933399090. 其他结构含非稠合吡啶环的化合物. 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, 乌洛托品请注明外观, 6－己内酰胺请注明外观, 签约日期
Summary	2933399090. other compounds containing an unfused pyridine ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%