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CAS 36945-03-6

:

Lergotrile

Description:
Lergotrile, with the CAS number 36945-03-6, is a chemical compound that belongs to the class of ergot alkaloids. It is primarily known for its pharmacological properties, particularly its role as a vasodilator and its potential effects on the central nervous system. Lergotrile exhibits a complex structure characterized by a tetracyclic framework, which is typical of many ergot derivatives. The compound interacts with various neurotransmitter receptors, influencing serotonin and dopamine pathways, which may contribute to its therapeutic effects. It is often studied for its potential applications in treating conditions related to vascular disorders and migraine. However, like many alkaloids, lergotrile may also present side effects and contraindications, necessitating careful consideration in clinical use. Its solubility, stability, and reactivity can vary based on environmental conditions, making it essential to handle it under controlled conditions in laboratory settings. Overall, lergotrile represents a significant area of interest in medicinal chemistry and pharmacology.
Formula:C17H18ClN3
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:InChIKey=JKAHWGPTNVUTNB-IXPVHAAZSA-N
SMILES:ClC1=C2C=3C([C@@]4([C@@](C2)(N(C)C[C@H](CC#N)C4)[H])[H])=CC=CC3N1
Synonyms:
  • D-2-Chloro-6-methyl-8β-(cyanomethyl)ergoline
  • Ergoline-8-acetonitrile, 2-chloro-6-methyl-, (8β)-
  • (8β)-2-Chloro-6-methylergoline-8-acetonitrile
  • Indolo[4,3-fg]quinoline, ergoline-8-acetonitrile deriv.
  • 2-Chloro-6-methylergoline-8β-acetonitrile
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