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CAS 5057-80-7

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Yohimban-16-carboxylic acid, 17-hydroxy-1-methyl-, methyl ester, monohydriodide, (16α,17α)-

Description:
Yohimban-16-carboxylic acid, 17-hydroxy-1-methyl-, methyl ester, monohydriodide, commonly referred to by its CAS number 5057-80-7, is a chemical compound derived from the yohimban alkaloid family, which is known for its presence in the bark of the Pausinystalia yohimbe tree. This compound exhibits characteristics typical of alkaloids, including a complex polycyclic structure that contributes to its biological activity. It is often studied for its potential pharmacological effects, particularly in relation to its adrenergic properties, which may influence cardiovascular and central nervous system functions. The presence of the carboxylic acid and ester functional groups suggests that it can participate in various chemical reactions, such as esterification and hydrolysis. Additionally, the monohydriodide form indicates the presence of iodine, which may enhance its biological activity or stability. Overall, Yohimban-16-carboxylic acid, 17-hydroxy-1-methyl-, methyl ester, monohydriodide is of interest in both medicinal chemistry and pharmacology due to its unique structural features and potential therapeutic applications.
Formula:C22H28N2O3·HI
InChI:InChI=1S/C22H28N2O3.HI/c1-23-17-6-4-3-5-14(17)15-9-10-24-12-13-7-8-19(25)20(22(26)27-2)16(13)11-18(24)21(15)23;/h3-6,13,16,18-20,25H,7-12H2,1-2H3;1H/t13-,16-,18-,19-,20+;/m0./s1
InChI key:InChIKey=WJMMXLIYALYDFB-HXBJQTCSSA-N
SMILES:CN1C=2[C@]3(N(C[C@]4([C@](C3)([C@@H](C(OC)=O)[C@@H](O)CC4)[H])[H])CCC2C=5C1=CC=CC5)[H].I
Synonyms:
  • Benz[g]indolo[2,3-a]quinolizine, yohimban-16-carboxylic acid deriv.
  • Yohimban-16-carboxylic acid, 17-hydroxy-1-methyl-, methyl ester, monohydriodide, (16α,17α)-
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