Articaine hydrochlorideProduct ingredient for Articaine

Name
Articaine hydrochloride
Drug Entry
Articaine

Articaine is a dental local anesthetic. Articaine is widely used around the world and is the most popular local anesthetic in many European countries.

Accession Number
DBSALT001089
Structure
Synonyms
Articaine HCl / Articaine hydrochloride
UNII
QS9014Q792
CAS Number
23964-57-0
Weight
Average: 320.83
Monoisotopic: 320.0961414
Chemical Formula
C13H21ClN2O3S
InChI Key
GDWDBGSWGNEMGJ-UHFFFAOYSA-N
InChI
InChI=1S/C13H20N2O3S.ClH/c1-5-6-14-9(3)12(16)15-10-8(2)7-19-11(10)13(17)18-4;/h7,9,14H,5-6H2,1-4H3,(H,15,16);1H
IUPAC Name
methyl 4-methyl-3-[2-(propylamino)propanamido]thiophene-2-carboxylate hydrochloride
SMILES
Cl.CCCNC(C)C(=O)NC1=C(SC=C1C)C(=O)OC
ChemSpider
29836
ChEMBL
CHEMBL1200819
Wikipedia
Articaine
Predicted Properties
PropertyValueSource
Water Solubility0.0285 mg/mLALOGPS
logP1.93ALOGPS
logP3.25Chemaxon
logS-4ALOGPS
pKa (Strongest Acidic)11.61Chemaxon
pKa (Strongest Basic)8.68Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count3Chemaxon
Hydrogen Donor Count2Chemaxon
Polar Surface Area67.43 Å2Chemaxon
Rotatable Bond Count7Chemaxon
Refractivity76.78 m3·mol-1Chemaxon
Polarizability30.54 Å3Chemaxon
Number of Rings1Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterYesChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleNoChemaxon