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Chemical structure of Yohimbine

GC37952

Yohimbine

Also known as methyl (1S,15R,18S,19R,20S)-18-hydroxy-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxylate

Yohimbine is a potent and relatively nonselective alpha 2-adrenergicreceptor (AR) antagonist, with IC50 of 0·6 μM

ChemicalCAS146-48-5MW354.44FormulaC21H26N2O3
CAS number
146-48-5
Molecular weight
354.44
Formula
C21H26N2O3
Solubility
Soluble in DMSO
InChIKey
BLGXFZZNTVWLAY-SCYLSFHTSA-N
Catalogue number
GC37952
Brand
GLPBIO
Computed properties PubChem CID 8969 · XLogP 2.9 · TPSA 65.6 Ų · H-bond donors 2
XLogP
2.9
TPSA
65.6 Ų
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
26

SMILES COC(=O)[C@H]1[C@H](CC[C@@H]2[C@@H]1C[C@H]3C4=C(CCN3C2)C5=CC=CC=C5N4)O

Computed descriptors from PubChem (CID 8969), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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