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CAS 207801-27-2

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Yohimban-16-carboxylic acid, 17-hydroxy-, hydrate (1:1), (16α,17α)-

Description:
Yohimban-16-carboxylic acid, 17-hydroxy-, hydrate (1:1), (16α,17α)- is a chemical compound derived from yohimbine, which is an alkaloid obtained from the bark of the Pausinystalia yohimbe tree. This compound features a complex tetracyclic structure characteristic of yohimbine derivatives, with specific functional groups including a carboxylic acid and a hydroxyl group. The presence of these functional groups contributes to its potential biological activity, particularly in the modulation of adrenergic receptors. The hydrate form indicates that the compound can associate with water molecules, which may influence its solubility and stability. Yohimban derivatives are often studied for their pharmacological effects, including potential applications in treating erectile dysfunction and as an aphrodisiac. However, the specific properties such as melting point, solubility, and reactivity can vary based on the hydration state and the presence of other substituents. As with many alkaloids, safety and efficacy in therapeutic use require careful consideration and further research.
Formula:C20H24N2O3·H2O
InChI:InChI=1S/C20H24N2O3.H2O/c23-17-6-5-11-10-22-8-7-13-12-3-1-2-4-15(12)21-19(13)16(22)9-14(11)18(17)20(24)25;/h1-4,11,14,16-18,21,23H,5-10H2,(H,24,25);1H2/t11-,14-,16-,17-,18+;/m0./s1
InChI key:InChIKey=UXXCUDYYOMDFPX-GPRFVYSASA-N
SMILES:C(O)(=O)[C@@H]1[C@]2(C[C@]3(C4=C(C=5C(N4)=CC=CC5)CCN3C[C@@]2(CC[C@@H]1O)[H])[H])[H].O
Synonyms:
  • Yohimban-16-carboxylic acid, 17-hydroxy-, hydrate (1:1), (16α,17α)-
  • Yohimban-16-carboxylic acid, 17-hydroxy-, monohydrate, (16α,17α)-
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