2-hydroxybenzoic acid 1-azabicyclo[2.2.2]octan-3-yl acetate

• ChemBase ID: 179855
• Molecular Formular: C16H21NO5
• Molecular Mass: 307.34164
• Monoisotopic Mass: 307.14197278
• SMILES: c1(C(=O)O)c(O)cccc1.N12CC(OC(=O)C)C(CC2)CC1
• Canonical SMILES: OC(=O)c1ccccc1O.CC(=O)OC1CN2CCC1CC2
• InChI: InChI=1S/C9H15NO2.C7H6O3/c1-7(11)12-9-6-10-4-2-8(9)3-5-10;8-6-4-2-1-3-5(6)7(9)10/h8-9H,2-6H2,1H3;1-4,8H,(H,9,10)
• InChIKey: RGVBDFIRGIDMNP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-hydroxybenzoic acid 1-azabicyclo[2.2.2]octan-3-yl acetate
• IUPAC Traditional name: 2-hydroxybenzoic acid 1-azabicyclo[2.2.2]octan-3-yl acetate
• Synonyms: Glacostat; Glaucostat; Glaucotat; Glaudin; Glaunorm; Aceclin; Aceclidine Salicylate

Database IDs

• CAS Number: 6821-59-6
• PubChem SID: 164235765
• PubChem CID: 23260

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -2.9803638
• LogD (pH = 7.4): -1.4757626
• Log P: 0.29819736
• Molar Refractivity: 45.3831 cm^3
• Polarizability: 18.148947 Å^3
• Polar Surface Area: 29.54 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Pharmacology Properties

• Mechanism of Action: Parasympathomimetic

Product Information

• Salt Data: Salicylate
• Application(s): Antihypertensive; Sedative