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Chemical structure of AF-DX 116

GC10219

AF-DX 116

Also known as 11-[2-[2-(diethylaminomethyl)piperidin-1-yl]acetyl]-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one

AF-DX 116 (AF-DX 116) is a selective and competitive M2 muscarinic acetylcholine receptor antagonist, with IC50 values of 640 nM and 386 nM for rabbit peripheral lung and rat heart, respectively

ChemicalCAS102394-31-0MW421.54FormulaC24H31N5O2
CAS number
102394-31-0
Molecular weight
421.54
Formula
C24H31N5O2
Solubility
＜10·54mg/ml in DMSO
InChIKey
UBRKDAVQCKZSPO-UHFFFAOYSA-N
Catalogue number
GC10219
Brand
GLPBIO
Computed properties PubChem CID 107867 · XLogP 2 · TPSA 68.8 Ų · H-bond donors 1
XLogP
2
TPSA
68.8 Ų
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
6
Heavy atoms
31

SMILES CCN(CC)CC1CCCCN1CC(=O)N2C3=CC=CC=C3C(=O)NC4=C2N=CC=C4

Computed descriptors from PubChem (CID 107867), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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Documents
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