361-37-5 (美西麦角,Methysergide)

CAS号:
361-37-5
中文名称:
美西麦角
英文名称:
Methysergide
分子式:
C21H27N3O2
分子量:
353.457985162735

美西麦角(361-37-5)名称与标识符

名称

中文别名:
美西麦角;
英文别名:
Ergoline-8-carboxamide,9,10-didehydro-N-[(1S)-1-(hydroxymethyl)propyl]-1,6-dimethyl-, (8b)-;(6aR,9R)-N-[(2S)-1-hydroxybutan-2-yl]-4,7-dimethyl-6,6a,8,9-tetrahydroindolo[4,3-fg]quinoline-9-carboxamide;Deseril;Desernil;Desernyl;Deseryl;methsergide;Methysergid;Methysergidum;Metisergide;Metisergide [DCIT];Sansert;CAS-361-37-5;UML 491;Tox21_110895_1;Desril;NS00001621;NCGC00024027-06;(6aR,9R)-4,6a,7-Trimethyl-4,6,6a,7,8,9-hexahydro-indolo[4,3-fg]quinoline-9-carboxylic acid (1-hydroxymethyl-propyl)-amide;(8beta)-9,10-Didehydro-N-[(1S)-1-(hydroxymethyl)propyl]-1,6-dimethylergoline-8-carboxamide;(4R,7R)-N-[(2S)-1-hydroxybutan-2-yl]-6,11-dimethyl-6,11-diazatetracyclo[7.6.1.0^{2,7}.0^{12,16}]hexadeca-1(16),2,9,12,14-pentaene-4-carboxamide;(8beta)-N-[(2S)-1-Hydroxybutan-2-yl]-1,6-dimethyl-9,10-didehydroergoline-8-carboxamide;DTXSID2023307;BRD-K35941380-050-17-0;BDBM30708;Methyllysergic acid butanolamide;4,7-Dimethyl-4,6,6a,7,8,9-hexahydro-indolo[4,3-fg]quinoline-9-carboxylic acid (1-hydroxymethyl-propyl)-amide;MLS000069364;Methysergidum [INN-Latin];Ergoline-8-beta-carboxamide, 9,10-didehydro-N-(1-(hydroxymethyl)propyl)-1,6-dimethyl-;(6aR,9R)-5,7-Dimethyl-4,6,6a,7,8,9-hexahydro-indolo[4,3-fg]quinoline-9-carboxylic acid diethylamide;BRD-K35941380-001-01-7;(methylsergide)4,7-Dimethyl-4,6,6a,7,8,9-hexahydro-indolo[4,3-fg]quinoline-9-carboxylic acid (1-hydroxymethyl-propyl)-amide;NCGC00024027-05;(6aR,9R)-N-[(2S)-1-hydroxybutan-2-yl]-4,7-dimethyl-6,6a,8,9-tetrahydroindolo[4,3-fg]quinoline-9-carboxamide;(Z)-but-2-enedioic acid;CHEMBL1065;HSDB 3237;METHYSERGIDE [HSDB];CCG-204945;D02357;1-Methyllysergic acid butanolamide;Methysergide [USAN:INN:BAN];Desernil Sandoz;NCGC00024027-09;H8J;METHYSERGIDE [MART.];CHEBI:92629;361-37-5;N-(alpha-(Hydroxymethyl)propyl)-1-methyl-dextro-lysergamide;(6aR,9R)-4-Methyl-4,6,6a,7,8,9-hexahydro-indolo[4,3-fg]quinoline-9-carboxylic acid (1-hydroxymethyl-propyl)-amide;EINECS 206-644-0;Biomol-NT_000155;NCGC00024027-07;HMS2090P04;DTXCID703307;Metisergido;SMR000058483;cid_5281073;Ergoline-8beta-carboxamide, 9,10-didehydro-N-(1-(hydroxymethyl)propyl)-1,6-dimethyl-;C07199;methysergide;(6aR,9R)-N-[(1S)-1-(hydroxymethyl)propyl]-4,7-dimethyl-6,6a,8,9-tetrahydroindolo[4,3-fg]quinoline-9-carboxamide;UML-491;(6aR,9R)-4,7-Dimethyl-4,6,6a,7,8,9-hexahydro-indolo[4,3-fg]quinoline-9-carboxylic acid ((S)-1-hydroxymethyl-propyl)-amide;XZA9HY6Z98;AB00513725_15;NCGC00024027-13;(6aR,9R)-N-[(2S)-1-hydroxybutan-2-yl]-4,7-dimethyl-6,6a,8,9-tetrahydroindolo[4,3-fg]quinoline-9-carboxamide;(Z)-2-butenedioic acid;METHYSERGIDE [INN];(8beta)-N-[(1S)-1-(hydroxymethyl)propyl]-1,6-dimethyl-9,10-didehydroergoline-8-carboxamide;(8alpha)-N-[(2S)-1-hydroxybutan-2-yl]-1,6-dimethyl-9,10-didehydroergoline-8-carboxamide;(6aR,9R)-4,7-dimethyl-N-[(1S)-1-methylolpropyl]-6,6a,8,9-tetrahydroindolo[4,3-fg]quinoline-9-carboxamide;maleate;ERGOMETRINE MALEATE IMPURITY G [EP IMPURITY];Q424442;METHYSERGIDE [VANDF];Lopac0_000863;NCGC00024027-04;BDBM50031942;Tox21_110895;METHYSERGIDE [WHO-DD];Methysergide (USAN/INN);SBI-0050838.P002;SCHEMBL41843;UNII-XZA9HY6Z98;BRN 0765985;(6aR,9R)-4,7-dimethyl-N-[(2S)-1-oxidanylbutan-2-yl]-6,6a,8,9-tetrahydroindolo[4,3-fg]quinoline-9-carboxamide;(Z)-but-2-enedioic acid;GTPL134;AB00513725-14;Metisergido [INN-Spanish];METHYSERGIDE [MI];METHYSERGIDE [USAN];BPBio1_000486;(+)-N-(1-(Hydroxymethyl)propyl)-1-methyl-D-lysergamide;Ergoline-8-carboxamide, 9,10-didehydro-N-(1-(hydroxymethyl)propyl)-1,6-dimethyl-, (8beta)-;Lysergamide, N-(1-(hydroxymethyl)propyl)-1-methyl-, D-;SDCCGSBI-0050838.P003;NCGC00024027-08;1-Methylmethylergonovine;(6aR,9R)-4,7-dimethyl-N-[(1S)-1-methylolpropyl]-6,6a,8,9-tetrahydroindolo[4,3-fg]quinoline-9-carboxamide;maleic acid;CHEMBL485253;(4R,7R)-N-(1-hydroxybutan-2-yl)-6,11-dimethyl-6,11-diazatetracyclo[7.6.1.0^{2,7}.0^{12,16}]hexadeca-1(15),2,9,12(16),13-pentaene-4-carboxamide;220756-57-0;(6aR,9R)-N-(1-Hydroxy-2-butanyl)-4,7-dimethyl-4,6,6a,7,8,9-hexahydroindolo[4,3-fg]quinoline-9-carboxamide;DB00247;1-Methyl-dextro-lysergic acid (+)-1-hydroxy-2-butylamide;CHEBI:584020;DTXSID10859349;SCHEMBL467883;EN300-33419388;N-(1-(Hydroxymethyl)propyl)-1-methyl-dextro-(+)-lysergamide;1-Methyl-D-lysergic acid butanolamide;(+)-9,10-Didehydro-N-(1-(hydroxymethyl)propyl)-1,6-dimethylergoline-8beta-carboxamide;metisergida;9,10-Didehydro-N-(1-(hydroxymethyl)propyl)-1,6-dimethylergoline-8-carboxamide;BDBM50469883;(8R)-N-[1-hydroxymethyl(propyl)]-1,6-dimethyl-9,10-didehydroergoline-8-carboxamide;BRD-K35941380-050-27-9;KPJZHOPZRAFDTN-ZRGWGRIASA-N;

标识符

InChIKey:
KPJZHOPZRAFDTN-ZRGWGRIASA-N
Inchi:
1S/C21H27N3O2/c1-4-15(12-25)22-21(26)14-8-17-16-6-5-7-18-20(16)13(10-23(18)2)9-19(17)24(3)11-14/h5-8,10,14-15,19,25H,4,9,11-12H2,1-3H3,(H,22,26)/t14-,15+,19-/m1/s1
SMILES:
O=C([C@@H]1C=C2C3C=CC=C4C=3C(=CN4C)C[C@H]2N(C)C1)N[C@H](CO)CC

美西麦角(361-37-5)物化性质

实验特性

  • LogP : 2.26390
  • PSA : 57.50000
  • 折射率 : 1.6300 (estimate)
  • 沸点 : 486.87°C (rough estimate)
  • 熔点 : 194-196°
  • 蒸气压 : 0.0±2.0 mmHg at 25°C
  • 闪点 : 337.5°C
  • 比旋光度 : D20 -45° (c = 0.5 in pyridine)
  • 密度 : 1.1377 (rough estimate)

计算特性

  • 精确分子量 : 353.21000
  • 氢键供体数量 : 2
  • 氢键受体数量 : 3
  • 可旋转化学键数量 : 4
  • 同位素质量 : 353.21
  • 重原子数量 : 26
  • 复杂度 : 578
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 3
  • 不确定原子立构中心数量 : 0
  • 确定化学键立构中心数量 : 0
  • 不确定化学键立构中心数量 : 0
  • 共价键单元数量 : 1
  • 疏水参数计算参考值(XlogP) : 2.3
  • 拓扑分子极性表面积 : 57.5A^2

美西麦角(361-37-5)生产方法和用途

用途:
是半合成的麦角碱(一种强有力的5 -HT受体拮抗剂),与麦角胺相比,仅有微弱的收缩血管和缩宫作用。可用作镇痛类药,预防严重再发的偏头痛。

美西麦角(361-37-5)推荐厂家 更多厂家(5)

公司名称手机号/电话联系人QQ微信询单
深圳菲斯生物科技有限公司 18925202235周美娇 2850179284
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上海瀚思化工有限公司 18939883912
021-34536277
顾经理 3003949364
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深圳振强生物技术有限公司 13670046396
86-755-66853366
颜经理 2851296953
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上海柯维化学技术有限公司 18901607656
021-64609169
白荷 3428632096 询单
上海阿拉丁生化科技股份有限公司 13167063860
13167063860
阿拉丁 3004013043
询单

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