Chem
J-GLOBAL ID：200907071171691081   Nikkaji number：J9.230D

(-)-9,10-Didehydro-N-[1-(hydroxymethyl)propyl]-1,6-dimethylergoline-8β-carboxamide

(-)-9,10-ジデヒドロ-N-[1-(ヒドロキシメチル)プロピル]-1,6-ジメチルエルゴリン-8β-カルボキサミド
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： C21H27N3O2
Molecular formula furigana： C21-H27-N3-O2
Molecular weight： 353.466
InChI： 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
InChI key： KPJZHOPZRAFDTN-NQUBZZJWSA-N
SMILES： CCC(CO)NC(=O)[C@H]1CN(C)[C@@H]2Cc3cn(C)c4cccc(C2=C1)c34
Systematic name  (3)：
  • (-)-9,10-ジデヒドロ-N-[1-(ヒドロキシメチル)プロピル]-1,6-ジメチルエルゴリン-8β-カルボキサミド
  • (4R,7R)-N-(1-ヒドロキシブタン-2-イル)-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),2,9,12,14-ペンタエン-4-カルボキサミド
  • (4R,7R)-N-(1-hydroxybutan-2-yl)-6,11-dimethyl-6,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2,9,12,14-pentaene-4-carboxamide
Other name (1)：
  • (-)-9,10-Didehydro-N-[1-(hydroxymethyl)propyl]-1,6-dimethylergoline-8β-carboxamide
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