Articaine hydrochlorideProduct ingredient for Articaine

Show full entry 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.

See full entry for Articaine
Accession Number
DBSALT001089
Structure
Similar Structures
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