Chem
J-GLOBAL ID：200907049502844171   Nikkaji number：J19.083G

Pergolide

ペルゴリド
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： C19H26N2S
Molecular formula furigana： C19-H26-N2-S
Molecular weight： 314.490
InChI： InChI=1S/C19H26N2S/c1-3-7-21-11-13(12-22-2)8-16-15-5-4-6-17-19(15)14(10-20-17)9-18(16)21/h4-6,10,13,16,18,20H,3,7-9,11-12H2,1-2H3/t13-,16-,18-/m1/s1
InChI key： YEHCICAEULNIGD-MZMPZRCHSA-N
SMILES： CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3cccc2c13
Systematic name  (3)：
  • 8β-[(メチルチオ)メチル]-6-プロピルエルゴリン
  • (2R,4R,7R)-4-[(メチルスルファニル)メチル]-6-プロピル-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
  • (2R,4R,7R)-4-[(methylsulfanyl)methyl]-6-propyl-6,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),9,12,14-tetraene
Other name (5)：
  • ペルゴリド
  • LY-127809
  • Pergolide
  • 8β-[(Methylthio)methyl]-6-propylergoline
  • パーゴライド
CAS registry number： 66104-22-1
KEGG DRUG： D08339
KEGG COMPOUND： C07425
Application (2)：
antiparkinson drug ,  dopaminergic drug
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