Chem
J-GLOBAL ID：200907099529947433   Nikkaji number：J17.683D

79907

レルゴ
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： C17H18ClN3
Molecular formula furigana： C17-H18-CL-N3
Molecular weight： 299.800
InChI： InChI=1S/C17H18ClN3/c1-21-9-10(5-6-19)7-12-11-3-2-4-14-16(11)13(8-15(12)21)17(18)20-14/h2-4,10,12,15,20H,5,7-9H2,1H3/t10-,12-,15-/m1/s1
InChI key： JKAHWGPTNVUTNB-IXPVHAAZSA-N
SMILES： CN1C[C@H](CC#N)C[C@H]2[C@H]1Cc1c(Cl)[nH]c3cccc2c13
Systematic name  (3)：
  • 2-クロロ-6-メチルエルゴリン-8β-アセトニトリル
  • 2-[(2R,4S,7R)-10-クロロ-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),9,12,14-テトラエン-4-イル]アセトニトリル
  • 2-[(2R,4S,7R)-10-chloro-6-methyl-6,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),9,12,14-tetraen-4-yl]acetonitrile
Other name (6)：
  • レルゴトリル
  • 79907
  • Lergotrile
  • 2-Chloro-6-methylergoline-8β-acetonitrile
  • Lergo
Show all
CAS registry number： 36945-03-6
KEGG DRUG： D04693
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