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Chemical structure of XE 991 dihydrochloride

GC11919

XE 991 dihydrochloride

Also known as 10,10-bis(pyridin-4-ylmethyl)anthracen-9-one;dihydrochloride

KV7 (KCNQ) voltage-gated potassium channels blocker

ChemicalCAS122955-13-9MW449.37FormulaC26H20N2O·2HCl
CAS number
122955-13-9
Molecular weight
449.37
Formula
C26H20N2O·2HCl
Solubility
2mg/ml in DMSO
InChIKey
WOGWMARIFDNZON-UHFFFAOYSA-N
Catalogue number
GC11919
Brand
GLPBIO
Computed properties PubChem CID 45073462 · TPSA 42.9 Ų · H-bond donors 2 · H-bond acceptors 3
TPSA
42.9 Ų
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
31

SMILES C1=CC=C2C(=C1)C(=O)C3=CC=CC=C3C2(CC4=CC=NC=C4)CC5=CC=NC=C5.Cl.Cl

Computed descriptors from PubChem (CID 45073462), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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