Chem
J-GLOBAL ID：200907007483700290   Nikkaji number：J11.385I

Costaclavine

コスタクラビン
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： C16H20N2
Molecular formula furigana： C16-H20-N2
Molecular weight： 240.350
InChI： InChI=1S/C16H20N2/c1-10-6-13-12-4-3-5-14-16(12)11(8-17-14)7-15(13)18(2)9-10/h3-5,8,10,13,15,17H,6-7,9H2,1-2H3/t10-,13+,15-/m1/s1
InChI key： VLMZMRDOMOGGFA-RIEGTJTDSA-N
SMILES： C[C@@H]1C[C@@H]2[C@@H](Cc3c[nH]c4cccc2c34)N(C)C1
Systematic name  (3)：
  • (10β)-6,8β-ジメチルエルゴリン
  • (2S,4R,7R)-4,6-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),9,12,14-テトラエン
  • (2S,4R,7R)-4,6-dimethyl-6,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),9,12,14-tetraene
Other name (3)：
  • コスタクラビン
  • Costaclavine
  • (10β)-6,8β-Dimethylergoline
CAS registry number： 436-41-9
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