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Chemical structure of Temanogrel (APD791)

GC30826

Temanogrel (APD791)

Also known as 3-methoxy-N-[3-(2-methylpyrazol-3-yl)-4-(2-morpholin-4-ylethoxy)phenyl]benzamide

Temanogrel (APD791) is a highly selective 5-HT2A receptor antagonist with a Ki of 4·9 nM

ChemicalCAS887936-68-7MW436.5FormulaC24H28N4O4
CAS number
887936-68-7
Molecular weight
436.5
Formula
C24H28N4O4
Solubility
DMSO : 125 mg/mL (286·37 mM)
InChIKey
ZEOQUKRCASTCFR-UHFFFAOYSA-N
Catalogue number
GC30826
Brand
GLPBIO
Computed properties PubChem CID 11604525 · XLogP 2.3 · TPSA 77.9 Ų · H-bond donors 1
XLogP
2.3
TPSA
77.9 Ų
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
8
Heavy atoms
32

SMILES CN1C(=CC=N1)C2=C(C=CC(=C2)NC(=O)C3=CC(=CC=C3)OC)OCCN4CCOCC4

Computed descriptors from PubChem (CID 11604525), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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