Chem
J-GLOBAL ID:200907006398829164   Nikkaji number:J2.649.325K

8β-(Diethylcarbamoyl)-9,10-didehydro-6-methyl(2-3H)ergoline

8β-(ジエチルカルバモイル)-9,10-ジデヒドロ-6-メチル(2-3H)エルゴリン
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: C20H24[3H]N3O
Molecular formula furigana: C20-H25-N3-O
Molecular weight: 325.448
InChI: InChI=1S/C20H25N3O/c1-4-23(5-2)20(24)14-9-16-15-7-6-8-17-19(15)13(11-21-17)10-18(16)22(3)12-14/h6-9,11,14,18,21H,4-5,10,12H2,1-3H3/t14-,18-/m1/s1/i11T
InChI key: VAYOSLLFUXYJDT-NQYDAWTJSA-N
SMILES: c1([3H])[nH]c2cccc3C4=C[C@H](CN(C)[C@@H]4Cc1c23)C(=O)N(CC)CC
Systematic name  (3):
  • 8β-(ジエチルカルバモイル)-9,10-ジデヒドロ-6-メチル(2-3H)エルゴリン
  • (4R,7R)-N,N-ジエチル-6-メチル(10-3H)-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,N-diethyl-6-methyl(10-3H)-6,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2,9,12,14-pentaene-4-carboxamide
Other name (1):
  • 8β-(Diethylcarbamoyl)-9,10-didehydro-6-methyl(2-3H)ergoline
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