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Chemical structure of 5-HT2A receptor agonist-3

GC71279

5-HT2A receptor agonist-3

Also known as (2S,6S)-2-[(4-bromo-2,5-dimethoxyphenyl)methyl]-6-(2-methoxyphenyl)piperidine

5-HT2A receptor agonist-3 is the most selective agonist for the human 5-HT2A receptor yet discovered, with a Ki of 2·5 nM, and with 124-fold selectivity for 5-HT2A over the structurally similar 5-HT2C receptor

ChemicalCAS1391499-52-7MW420.34FormulaC21H26BrNO3
CAS number
1391499-52-7
Molecular weight
420.34
Formula
C21H26BrNO3
InChIKey
KMVGLBONODPTDY-YJBOKZPZSA-N
Catalogue number
GC71279
Brand
GLPBIO
Computed properties PubChem CID 60208938 · XLogP 4.8 · TPSA 39.7 Ų · H-bond donors 1
XLogP
4.8
TPSA
39.7 Ų
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
6
Heavy atoms
26

SMILES COC1=CC=CC=C1[C@@H]2CCC[C@H](N2)CC3=CC(=C(C=C3OC)Br)OC

Computed descriptors from PubChem (CID 60208938), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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