Articaine

C₁₃H₂₀N₂O₃SCAS 23964-58-1284.37 g/mol

Open in Covalent MOL file

Ester Secondary 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 Å²
H-bond donors / acceptors: 2 / 5
Rotatable bonds: 6

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)

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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

Similar compounds

Articaine hydrochloride23964-57-094 % similar Prilocaine721-50-648 % similar Prilocaine hydrochloride1786-81-846 % similar Methyl 3-amino-4-methylthiophene-2-carboxylate85006-31-141 % similar 4-Butyrylamino-3-methyl-5-nitrobenzoic acid methyl ester152628-01-832 % similar Dimethyl 4-aminothiophene-2,3-dicarboxylate hydrochloride121071-71-431 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook