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Chemical structure of NNC 711

GC11748

NNC 711

Also known as 1-[2-(benzhydrylideneamino)oxyethyl]-3,6-dihydro-2H-pyridine-5-carboxylic acid;hydrochloride

NNC-711 (hydrochloride) is a potent and selective inhibitor of GAT-1 ( GABA transporter 1) with an IC50 of 40 nM for hGAT-1

ChemicalCAS145645-62-1MW386.88FormulaC21H22N2O3·HCl
CAS number
145645-62-1
Molecular weight
386.88
Formula
C21H22N2O3·HCl
Solubility
DMSO： soluble; Water： 10 mM
InChIKey
YZYRTEYMUTWJPL-UHFFFAOYSA-N
Catalogue number
GC11748
Brand
GLPBIO
Computed properties PubChem CID 123738 · TPSA 62.1 Ų · H-bond donors 2 · H-bond acceptors 5
TPSA
62.1 Ų
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
7
Heavy atoms
27

SMILES C1CN(CC(=C1)C(=O)O)CCON=C(C2=CC=CC=C2)C3=CC=CC=C3.Cl

Computed descriptors from PubChem (CID 123738), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

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