Lergotrile

CAS Registry Number®

36945-03-6

CAS Name

Lergotrile

Molecular Formula

C17H18ClN3

Molecular Mass

299.80

Cite this Page

Lergotrile.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=36945-03-6 (retrieved 2024-11-21) (CAS RN: 36945-03-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

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

InChIKey

InChIKey=JKAHWGPTNVUTNB-IXPVHAAZSA-N

SMILES

ClC1=C2C=3C([C@@]4([C@@](C2)(N(C)C[C@H](CC#N)C4)[H])[H])=CC=CC3N1

Canonical SMILES

N#CCC1CN(C)C2CC3=C(Cl)NC4=CC=CC(=C43)C2C1

Other Names for this Substance

  • Ergoline-8-acetonitrile, 2-chloro-6-methyl-, (8β)-
  • Indolo[4,3-fg]quinoline, ergoline-8-acetonitrile deriv.
  • (8β)-2-Chloro-6-methylergoline-8-acetonitrile
  • 2-Chloro-6-methylergoline-8β-acetonitrile
  • D-2-Chloro-6-methyl-8β-(cyanomethyl)ergoline

View All

CAS INSIGHTSTM
Targeted protein degrader structure, illustration