Chem
J-GLOBAL ID:200907051568852170   Nikkaji number:J4.806B

Ergonovine

エルゴノビン
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-XTQGRXLLSA-N
SMILES: C[C@@H](CO)NC(=O)[C@H]1CN(C)[C@@H]2Cc3c[nH]c4cccc(C2=C1)c34
Systematic name  (3):
  • 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-8β-カルボアミド
  • (4R,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
  • (4R,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 (21):
  • エルゴトシン
  • エルゴノビン
  • エルゴバシン
  • エルゴクリニン
  • エルゴメトリン
Show all
CAS registry number: 60-79-7
Regulation number (2):
  • KE5075000
  • EINECS2004850
KEGG DRUG: D07905
KEGG COMPOUND: C07543
Application (1):
oxytocic
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