129-49-7

• 常用中文名：马来酸美西麦角
• 常用英文名：Methysergide
• CAS号：129-49-7
• 分子式：C₂₅H₃₁N₃O₆
• 分子量：469.53000
• 发布时间：2018-07-30 18:47:14
• 更新时间：2025-08-22 12:58:25
• Methysergide is a prescription drug formerly used for prophylaxis of cluster headaches/migraine headaches, but is no longer recommended due to retroperitoneal/retropulmonary fibrosis. It is also used in carcinoid syndrome to treat severe diarrhea. It may also be used in the treatment of serotonin syndrome.

名称

• 中文名: 马来酸美西麦角
• 英文名: Methysergide maleate salt
• 英文别名: Methysergide maleate; Methysergide maleate,[8β(S)]-9,10-Didehydro-N-[1-(hydroxymethyl)propyl]-1,6-dimethylergoline-8-carboxamidemaleate; MFCD00083185; EINECS 204-950-9

物化性质

• 密度: 1.28g/cm3
• 沸点: 634.4ºC at 760 mmHg
• 分子式: C₂₅H₃₁N₃O₆
• 分子量: 469.53000
• 闪点: 337.5ºC
• 精确质量: 469.22100
• PSA: 132.10000
• LogP: 1.97570
• 外观性状: 白色至灰白色
• 蒸汽压: 5.74E-17mmHg at 25°C
• 计算化学:

  1.疏水参数计算参考值（XlogP）:无

  2.氢键供体数量:4

  3.氢键受体数量:7

  4.可旋转化学键数量:6

  5.互变异构体数量:2

  6.拓扑分子极性表面积132

  7.重原子数量:34

  8.表面电荷:0

  9.复杂度:697

  10.同位素原子数量:0

  11.确定原子立构中心数量:3

  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:1

  14.不确定化学键立构中心数量:0

  15.共价键单元数量:2

毒性和生态

毒理学数据: 1、急性毒性： 大鼠经口LD5O：200mg/kg 大鼠经静脉LD5O：125mg/kg 小鼠经口LD5O：581mg/kg 小鼠经静脉LD5O：185mg/kg 兔子经静脉LD5O：28mg/kg 2、致生殖毒性：小鼠（雌，受精前）腹腔TDLO：400ug/kg/1D 3、致突变：人体淋巴细胞遗传学分析测试系统：100ug/kg/24H 小鼠腹腔细胞遗传学分析测试系统：200mg/kg 小鼠腹腔显性致死实验：100mg/kg CHEMICAL IDENTIFICATION RTECS NUMBER : KE5410000 CAS REGISTRY NUMBER : 129-49-7 LAST UPDATED : 199509 DATA ITEMS CITED : 10 MOLECULAR FORMULA : C21-H27-N3-O2.C4-H4-O4 MOLECULAR WEIGHT : 469.59 HEALTH HAZARD DATA ACUTE TOXICITY DATA TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 200 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 - rat DOSE/DURATION : 125 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 - mouse DOSE/DURATION : 581 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 : 185 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 - rabbit DOSE/DURATION : 28 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 : Intraperitoneal DOSE : 400 ug/kg SEX/DURATION : female 1 day(s) pre-mating TOXIC EFFECTS : Reproductive - Fertility - other measures of fertility TYPE OF TEST : Cytogenetic analysis MUTATION DATA TEST SYSTEM : Rodent - mouse DOSE/DURATION : 100 mg/kg REFERENCE : MUREAV Mutation Research. (Elsevier Science Pub. B.V., POB 211, 1000 AE Amsterdam, Netherlands) V.1- 1964- Volume(issue)/page/year: 50,317,1978

安全

• 符号: GHS06
• 信号词: Danger
• 危害声明: H301
• 警示性声明: Missing Phrase - N15.00950417
• 个人防护装备: Eyeshields;Faceshields;Gloves;type P2 (EN 143) respirator cartridges
• 危害码 (欧洲): T: Toxic;
• 风险声明 (欧洲): R25
• 安全声明 (欧洲): S45
• 危险品运输编码: UN 2811 6
• WGK德国: 3
• RTECS号: KE5410000
• 包装等级: III
• 危险类别: 6.1(b)