Proparacaine hydrochlorideProduct ingredient for Proparacaine

Name
Proparacaine hydrochloride
Drug Entry
Proparacaine

Proparacaine is a topical anesthetic drug of the amino ester group. It is found in ophthalmic solutions at a concentration of 0.5% as the hydrochloride salt.

Accession Number
DBSALT000459
Structure
Thumb
Synonyms
2-(diethylamino)ethyl 3-amino-4-propoxybenzoate monohydrochloride / Proparacaine HCl / Proxymetacaine hydrochloride
UNII
U96OL57GOY
CAS Number
5875-06-9
Weight
Average: 330.85
Monoisotopic: 330.171020447
Chemical Formula
C16H27ClN2O3
InChI Key
BFUUJUGQJUTPAF-UHFFFAOYSA-N
InChI
InChI=1S/C16H26N2O3.ClH/c1-4-10-20-15-8-7-13(12-14(15)17)16(19)21-11-9-18(5-2)6-3;/h7-8,12H,4-6,9-11,17H2,1-3H3;1H
IUPAC Name
2-(diethylamino)ethyl 3-amino-4-propoxybenzoate hydrochloride
SMILES
Cl.CCCOC1=C(N)C=C(C=C1)C(=O)OCCN(CC)CC
External Links
PubChem Compound
22169
ChemSpider
20811
ChEMBL
CHEMBL1200464
Wikipedia
Proxymetacaine
Predicted Properties
PropertyValueSource
Water Solubility1.39 mg/mLALOGPS
logP2.97ALOGPS
logP2.6ChemAxon
logS-2.3ALOGPS
pKa (Strongest Basic)8.96ChemAxon
Physiological Charge1ChemAxon
Hydrogen Acceptor Count4ChemAxon
Hydrogen Donor Count1ChemAxon
Polar Surface Area64.79 Å2ChemAxon
Rotatable Bond Count10ChemAxon
Refractivity86.04 m3·mol-1ChemAxon
Polarizability34.55 Å3ChemAxon
Number of Rings1ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon