中文名 | 甲麦角新碱 |
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英文名 | Methylergometrine maleate,[8β(S)]-9,10-Didehydro-N-[1-(hydroxymethyl)propyl]-6-methylergoline-8-carboxamidemaleate |
英文别名 |
Methylergobasine
D-Lysergic acid-(+)-butanolamide-(2) (8β)-N-[(2S)-1-Hydroxybutan-2-yl]-6-methyl-9,10-didehydroergoline-8-carboxamide Methylergometrin [8b(S)]-9,10-Didehydro-N-[1-(hydroxymethyl)propyl]-6-methylergoline-8-carboxamide methylergometrine N-[a-(Hydroxymethyl)propyl]-D-Iysergamide Methylergobrevin EINECS 204-027-0 (8β)-N-[(2S)-1-Hydroxy-2-butanyl]-6-methyl-9,10-didehydroergoline-8-carboxamide D-Lysergic Acid (+)-Butanolamide-(2) (8β)-N-[(1S)-1-(hydroxymethyl)propyl]-6-methyl-9,10-didehydroergoline-8-carboxamide Prestwick_727 Methylergonovine Ergoline-8-carboxamide, 9,10-didehydro-N-[(1S)-1-(hydroxymethyl)propyl]-6-methyl-, (8β)- |
描述 | 甲基麦角新碱(甲基麦角新碱)是一种口服活性5-HT2B配体激动剂。甲基麦角新碱可用作催产素,对产后出血有保护作用[1][2][3]。 |
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相关类别 | |
靶点 |
5-HT2B Receptor |
参考文献 |
密度 | 1.3±0.1 g/cm3 |
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沸点 | 638.4±55.0 °C at 760 mmHg |
熔点 | 172ºC |
分子式 | C20H25N3O2 |
分子量 | 339.431 |
闪点 | 339.9±31.5 °C |
精确质量 | 339.194672 |
PSA | 68.36000 |
LogP | 1.67 |
蒸汽压 | 0.0±2.0 mmHg at 25°C |
折射率 | 1.665 |
分子结构 | 1、 摩尔折射率:98.50 2、 摩尔体积(cm3/mol):265.1 3、 等张比容(90.2K):744.4 4、 表面张力(dyne/cm):62.1 5、 极化率(10-24cm3):39.05 |
计算化学 | 1.疏水参数计算参考值(XlogP):无 2.氢键供体数量:3 3.氢键受体数量:3 4.可旋转化学键数量:4 5.互变异构体数量:4 6.拓扑分子极性表面积68.4 7.重原子数量:25 8.表面电荷:0 9.复杂度:549 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:0 14.不确定化学键立构中心数量:0 15.共价键单元数量:1 |
CHEMICAL IDENTIFICATION
HEALTH HAZARD DATAACUTE TOXICITY DATA
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~% 113-42-8 |
文献:Collection of Czechoslovak Chemical Communications, , vol. 22, p. 1866,1868,1871 Helvetica Chimica Acta, , vol. 26, p. 944,947 Hoppe-Seyler's Zeitschrift fuer Physiologische Chemie, , vol. 251, p. 155,160 Collection of Czechoslovak Chemical Communications, , vol. 21, p. 382,386 |
~% 113-42-8 |
文献:Collection of Czechoslovak Chemical Communications, , vol. 22, p. 1866,1868,1871 |
~% 113-42-8
详细
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文献:Collection of Czechoslovak Chemical Communications, , vol. 22, p. 1866,1868,1871 |
上游产品 3 | |
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下游产品 0 |