Oxybuprocaine hydrochlorideProduct ingredient for Oxybuprocaine

Name
Oxybuprocaine hydrochloride
Drug Entry
Oxybuprocaine

Oxybuprocaine (also known as Benoxinate) is a local anesthetic, which is used especially in ophthalmology and otolaryngology. Oxybuprocaine binds to sodium channels and reversibly stabilizes the neuronal membrane which decreases its permeability to sodium ions.

Accession Number
DBSALT000226  (DBSALT001482)
Structure
Synonyms
Benoxinate HCl / Benoxinate hydrochloride / Oxybuprocaine HCl
UNII
0VE4U49K15
CAS Number
5987-82-6
Weight
Average: 344.877
Monoisotopic: 344.186670511
Chemical Formula
C17H29ClN2O3
InChI Key
PRGUDWLMFLCODA-UHFFFAOYSA-N
InChI
InChI=1S/C17H28N2O3.ClH/c1-4-7-11-21-16-13-14(8-9-15(16)18)17(20)22-12-10-19(5-2)6-3;/h8-9,13H,4-7,10-12,18H2,1-3H3;1H
IUPAC Name
2-(diethylamino)ethyl 4-amino-3-butoxybenzoate hydrochloride
SMILES
Cl.CCCCOC1=CC(=CC=C1N)C(=O)OCCN(CC)CC
PubChem Compound
22304
ChemSpider
20934
ChEBI
31260
ChEMBL
CHEMBL1200654
Predicted Properties
PropertyValueSource
Water Solubility0.544 mg/mLALOGPS
logP3.3ALOGPS
logP3.05Chemaxon
logS-2.8ALOGPS
pKa (Strongest Acidic)19.76Chemaxon
pKa (Strongest Basic)8.96Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count4Chemaxon
Hydrogen Donor Count1Chemaxon
Polar Surface Area64.79 Å2Chemaxon
Rotatable Bond Count11Chemaxon
Refractivity90.64 m3·mol-1Chemaxon
Polarizability36.73 Å3Chemaxon
Number of Rings1Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterYesChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleNoChemaxon