Articaine

C13H20N2O3SCAS 23964-58-1284.37 g/mol

Open in Covalent MOL file
NHOHNSOO
EsterSecondary amine

Properties

Molecular formula
C13H20N2O3S
Molar mass
284.37 g/mol
Exact mass
284.1195 Da
Melting point
175–176 °C
Boiling point
162–167 °C (at 0.3 Torr)
logP
2.82Crippen estimate
Polar surface area
70.9 Ų
H-bond donors / acceptors
2 / 5
Rotatable bonds
6

Hazards

Warning
Irritant (GHS07)

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P270, P301+P317, P330, P501

Identifiers

CAS number
23964-58-1
SMILES
CCCNC(C)C(O)=Nc1c(C)csc1C(=O)OC
InChIKey
QTGIAADRBBLJGA-UHFFFAOYSA-N
InChI
InChI=1S/C13H20N2O3S/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)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

3 names
  • 2-Thiophenecarboxylic acid, 4-methyl-3-[[1-oxo-2-(propylamino)propyl]amino]-, methyl ester
  • 2-Thiophenecarboxylic acid, 4-methyl-3-[2-(propylamino)propionamido]-, methyl ester
  • Carticaine

Work with Articaine

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Articaine hydrochloride23964-57-0Salt

Similar compounds

Prilocaine721-50-648 % similar Prilocaine hydrochloride1786-81-846 % similar Methyl 3-amino-4-methylthiophene-2-carboxylate85006-31-141 % similar Methyl 3-methylthiophene-2-carboxylate81452-54-236 % similar Methyl 4-methylthiazole-5-carboxylate81569-44-033 % similar 4-Butyrylamino-3-methyl-5-nitrobenzoic acid methyl ester152628-01-832 % similar Dimethyl 4-aminothiophene-2,3-dicarboxylate hydrochloride121071-71-431 % similar Methyl 5-bromo-3-methylpicolinate213771-32-531 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook