Lergotrile
CAS Registry Number®
36945-03-6
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CAS Name
LergotrileMolecular Formula
C17H18ClN3Molecular Mass
299.80Cite 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 ) (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
