CAS 98988-34-2

(8beta)-8-[(methylsulfanyl)methyl]ergoline-6-carbonitrile

Description:

(8beta)-8-[(Methylsulfanyl)methyl]ergoline-6-carbonitrile, identified by its CAS number 98988-34-2, is a chemical compound belonging to the ergoline family, which is characterized by a tetracyclic structure derived from lysergic acid. This compound features a methylsulfanyl group and a carbonitrile functional group, which contribute to its unique chemical properties. Ergoline derivatives are often studied for their potential pharmacological effects, including interactions with serotonin receptors, which may influence mood and cognition. The presence of the methylsulfanyl group can enhance lipophilicity, potentially affecting the compound's bioavailability and distribution in biological systems. Additionally, the carbonitrile group may participate in various chemical reactions, making this compound of interest in synthetic organic chemistry. Overall, (8beta)-8-[(methylsulfanyl)methyl]ergoline-6-carbonitrile exemplifies the complexity and diversity of ergoline derivatives, with implications for both medicinal chemistry and pharmacology.

Formula: C₁₇H₁₉N₃S

InChI: InChI=1/C17H19N3S/c1-21-9-11-5-14-13-3-2-4-15-17(13)12(7-19-15)6-16(14)20(8-11)10-18/h2-4,7,11,14,16,19H,5-6,8-9H2,1H3/t11-,14-,16-/m1/s1

SMILES: CSC[C@@H]1C[C@@H]2c3cccc4c3c(C[C@H]2N(C1)C#N)c[nH]4

Pergolide Impurity 13

CAS: 98988-34-2

Formula: C₁₇H₁₉N₃S

Molecular weight: 297.42

Ref: 4Z-P-436017