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Chemical structure of A 887826

GC14481

A 887826

Also known as 5-(4-butoxy-3-chlorophenyl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]pyridine-3-carboxamide

voltage-dependent Nav1·8 sodium channel blocker

ChemicalCAS1266212-81-0MW480.99FormulaC26H29ClN4O3
CAS number
1266212-81-0
Molecular weight
480.99
Formula
C26H29ClN4O3
Solubility
<24·05mg/ml in DMSO
InChIKey
JPJGFWKHSMUKFO-UHFFFAOYSA-N
Catalogue number
GC14481
Brand
GLPBIO
Computed properties PubChem CID 46919335 · XLogP 4.1 · TPSA 76.6 Ų · H-bond donors 1
XLogP
4.1
TPSA
76.6 Ų
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
9
Heavy atoms
34

SMILES CCCCOC1=C(C=C(C=C1)C2=CC(=CN=C2)C(=O)NCC3=C(N=CC=C3)N4CCOCC4)Cl

Computed descriptors from PubChem (CID 46919335), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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