Chem
J-GLOBAL ID：200907073999422923   Nikkaji number：J552.476H

LY-108742

1,6-ジメチルエルゴリン-8β-カルボン酸2-ヒドロキシ-1-メチルプロピル
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C21H28N2O3
Molecular formula furigana： C21-H28-N2-O3
Molecular weight： 356.466
InChI： InChI=1S/C21H28N2O3/c1-12(24)13(2)26-21(25)15-8-17-16-6-5-7-18-20(16)14(10-22(18)3)9-19(17)23(4)11-15/h5-7,10,12-13,15,17,19,24H,8-9,11H2,1-4H3/t12?,13?,15-,17-,19-/m1/s1
InChI key： YLCYDARNSJPGCV-CPVBSHQASA-N
SMILES： CC(O)C(C)OC(=O)[C@@H]1C[C@H]2[C@@H](Cc3cn(C)c4cccc2c34)N(C)C1
Systematic name  (3)：
  • 1,6-ジメチルエルゴリン-8β-カルボン酸2-ヒドロキシ-1-メチルプロピル
  • 3-ヒドロキシブタン-2-イル (2R,4R,7R)-6,11-ジメチル-6,11-ジアザテトラシクロ[7.6.1.02,7.012,16]ヘキサデカ-1(16),9,12,14-テトラエン-4-カルボキシラート
  • 3-hydroxybutan-2-yl (2R,4R,7R)-6,11-dimethyl-6,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),9,12,14-tetraene-4-carboxylate
Other name (2)：
  • LY-108742
  • 1,6-Dimethylergoline-8β-carboxylic acid 2-hydroxy-1-methylpropyl ester
Thsaurus map：
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