mepenzolic acid   Click here for help

GtoPdb Ligand ID: 10470

Synonyms: (±)-mepenzolate | Cantril® | glycophenylate | mepenzolate | racemic mepenzolate
Approved drug
mepenzolic acid is an approved drug (FDA (1956))
Compound class: Synthetic organic
Comment: In in vitro binding assays, (R)-mepenzolate has a higher affinity for the human M2 and M3 muscarinic acetylcholine receptors than (S)-mepenzolate [2].
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 5
Topological polar surface area 46.53
Molecular weight 340.19
XLogP 2.95
No. Lipinski's rules broken 0
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Canonical SMILES O=C(C(c1ccccc1)(c1ccccc1)O)OC1CCC[N+](C1)(C)C
Isomeric SMILES O=C(C(c1ccccc1)(c1ccccc1)O)OC1CCC[N+](C1)(C)C
InChI InChI=1S/C21H26NO3/c1-22(2)15-9-14-19(16-22)25-20(23)21(24,17-10-5-3-6-11-17)18-12-7-4-8-13-18/h3-8,10-13,19,24H,9,14-16H2,1-2H3/q+1
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Molecular structure representations generated using Open Babel