CAS 72821-83-1
:Ergoline-8-methanol, 6-propyl-, methanesulfonate (ester), (8β)-
Description:
Ergoline-8-methanol, 6-propyl-, methanesulfonate (ester), (8β)-, identified by CAS number 72821-83-1, is a chemical compound belonging to the ergoline family, which is characterized by a tetracyclic structure derived from the indole alkaloids. This specific compound features a methanol group and a propyl chain at the 6-position, along with a methanesulfonate ester functional group. Ergoline derivatives are known for their diverse biological activities, including effects on serotonin receptors, which can influence mood and cognition. The presence of the methanesulfonate group enhances its solubility and stability in various solvents, making it suitable for pharmaceutical applications. Additionally, the stereochemistry indicated by (8β)- suggests a specific spatial arrangement of atoms, which can significantly affect the compound's biological interactions and pharmacological properties. Overall, this compound exemplifies the complexity and potential utility of ergoline derivatives in medicinal chemistry and pharmacology.
Formula:C19H26N2O3S
InChI:InChI=1S/C19H26N2O3S/c1-3-7-21-11-13(12-24-25(2,22)23)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
InChI key:InChIKey=ZRMVUDVPSHUKAZ-MZMPZRCHSA-N
SMILES:C(CC)N1[C@]2([C@@](C=3C=4C(C2)=CNC4C=CC3)(C[C@@H](COS(C)(=O)=O)C1)[H])[H]
Synonyms:- Ergoline-8-methanol, 6-propyl-, methanesulfonate (ester), (8β)-
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