Chem
J-GLOBAL ID：200907020488543769
Nikkaji number：J2.120.593A
9,10-Didehydro-N,N-diethyl-6-[(2H3)methyl]ergoline-8β-carboxamide
9,10-ジデヒドロ-N,N-ジエチル-6-[(2H3)メチル]エルゴリン-8β-カルボアミド
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
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
Molecular formula： C20H22[2H]3N3O
Molecular formula furigana： C20-H25-N3-O
Molecular weight： 326.458
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/i3D3
InChI key：
VAYOSLLFUXYJDT-WABLSUFGSA-N
SMILES：
C([2H])([2H])([2H])N1C[C@@H](C=C2[C@H]1Cc1c[nH]c3cccc2c13)C(=O)N(CC)CC
Systematic name (3)：
- 9,10-ジデヒドロ-N,N-ジエチル-6-[(2H3)メチル]エルゴリン-8β-カルボアミド
- (4R,7R)-N,N-ジエチル-6-(2H3)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,N-diethyl-6-(2H3)methyl-6,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2,9,12,14-pentaene-4-carboxamide
- 9,10-Didehydro-N,N-diethyl-6-[(2H3)methyl]ergoline-8β-carboxamide
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