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Chemical structure of 5-HT2A antagonist 1

GC32664

5-HT2A antagonist 1

Also known as 4-amino-N-[2-(4-benzoylpiperidin-1-yl)ethyl]-N-pyridin-3-ylbenzamide

5-HT2A antagonist 1 is a 5-HT2A antagonist extracted from patent US5728835A and JP 1007727

ChemicalCAS204643-75-4MW428.53FormulaC26H28N4O2
CAS number
204643-75-4
Molecular weight
428.53
Formula
C26H28N4O2
Solubility
Soluble in DMSO
InChIKey
WDLKXXMEFJRKFM-UHFFFAOYSA-N
Catalogue number
GC32664
Brand
GLPBIO
Computed properties PubChem CID 9888832 · XLogP 3.1 · TPSA 79.5 Ų · H-bond donors 1
XLogP
3.1
TPSA
79.5 Ų
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
7
Heavy atoms
32

SMILES C1CN(CCC1C(=O)C2=CC=CC=C2)CCN(C3=CN=CC=C3)C(=O)C4=CC=C(C=C4)N

Computed descriptors from PubChem (CID 9888832), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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Documents
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