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Chemical structure of AB21 hydrochloride

GC71107

AB21 hydrochloride

Also known as 2-phenyl-1-[2-(2-phenylethyl)-2,7-diazaspiro[3.5]nonan-7-yl]ethanone;hydrochloride

AB21 hydrochloride is a potent and selective S1R antagonist with Kis of 13, 102 nM for S1R and S2R

ChemicalCAS3026677-24-4MW384.94FormulaC23H29ClN2O
CAS number
3026677-24-4
Molecular weight
384.94
Formula
C23H29ClN2O
InChIKey
PFTPPVBGPRGNFT-UHFFFAOYSA-N
Catalogue number
GC71107
Brand
GLPBIO
Computed properties PubChem CID 169553430 · TPSA 23.6 Ų · H-bond donors 1 · H-bond acceptors 2
TPSA
23.6 Ų
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
5
Heavy atoms
27

SMILES C1CN(CCC12CN(C2)CCC3=CC=CC=C3)C(=O)CC4=CC=CC=C4.Cl

Computed descriptors from PubChem (CID 169553430), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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