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Chemical structure of P11149

GC63134

P11149

Also known as [(1S,12S,14R)-14-hydroxy-4-methyl-11-oxa-4-azatetracyclo[8.6.1.01,12.06,17]heptadeca-6(17),7,9,15-tetraen-9-yl] adamantane-1-carboxylate;hydrochloride

P11149 is a competitive, BBB-penetarated weakly, orally active and selective inhibitor of AChE

ChemicalCAS164724-79-2MW472.02FormulaC27H34ClNO4
CAS number
164724-79-2
Molecular weight
472.02
Formula
C27H34ClNO4
Solubility
DMSO ： 100 mg/mL (211·86 mM; Need ultrasonic)
InChIKey
NXIVVAIJLAXRRL-COWQPDHPSA-N
Catalogue number
GC63134
Brand
GLPBIO
Computed properties PubChem CID 9912659 · TPSA 59 Ų · H-bond donors 2 · H-bond acceptors 5
TPSA
59 Ų
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
3
Heavy atoms
33

SMILES CN1CC[C@@]23C=C[C@@H](C[C@@H]2OC4=C(C=CC(=C34)C1)OC(=O)C56CC7CC(C5)CC(C7)C6)O.Cl

Computed descriptors from PubChem (CID 9912659), 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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