Pergolide

CAS Registry Number®

66104-22-1
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CAS Name

Pergolide

Molecular Formula

C19H26N2S

Molecular Mass

314.49

Cite this Page

Pergolide.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=66104-22-1 (retrieved 2024-04-18) (CAS RN: 66104-22-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    207.5 °C

Source(s)

  • (1) PhysProp data were obtained from Syracuse Research Corporation of Syracuse, New York (US)

Other Names and Identifiers

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

InChIKey

InChIKey=YEHCICAEULNIGD-MZMPZRCHSA-N

SMILES

C(CC)N1[C@]2([C@@](C=3C=4C(C2)=CNC4C=CC3)(C[C@@H](CSC)C1)[H])[H]

Canonical SMILES

S(C)CC1CN(CCC)C2CC3=CNC4=CC=CC(=C43)C2C1

Other Names for this Substance

  • Ergoline, 8-[(methylthio)methyl]-6-propyl-, (8β)-
  • Indolo[4,3-fg]quinoline, ergoline deriv.
  • (8β)-8-[(Methylthio)methyl]-6-propylergoline
  • Pergolide
  • LY 141B

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