Chem
J-GLOBAL ID：200907061296040478   Nikkaji number：J33.902D

Ergonovinine

エルゴノビニン
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： C19H23N3O2
Molecular formula furigana： C19-H23-N3-O2
Molecular weight： 325.412
InChI： InChI=1S/C19H23N3O2/c1-11(10-23)21-19(24)13-6-15-14-4-3-5-16-18(14)12(8-20-16)7-17(15)22(2)9-13/h3-6,8,11,13,17,20,23H,7,9-10H2,1-2H3,(H,21,24)/t11-,13-,17+/m0/s1
InChI key： WVVSZNPYNCNODU-PLQHRBFRSA-N
SMILES： C[C@@H](CO)NC(=O)[C@@H]1CN(C)[C@@H]2Cc3c[nH]c4cccc(C2=C1)c34
Systematic name  (3)：
  • (8α)-9,10-ジデヒドロ-N-[(S)-2-ヒドロキシ-1-メチルエチル]-6-メチルエルゴリン-8-カルボキサミド
  • (4S,7R)-N-[(2S)-1-ヒドロキシプロパン-2-イル]-6-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
  • (4S,7R)-N-[(2S)-1-hydroxypropan-2-yl]-6-methyl-6,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2,9,12,14-pentaene-4-carboxamide
Other name (5)：
  • エルゴメトリニン
  • Ergometrinine
  • (8α)-9,10-Didehydro-N-[(S)-2-hydroxy-1-methylethyl]-6-methylergoline-8-carboxamide
  • エルゴノビニン
  • Ergonovinine
CAS registry number： 479-00-5
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