Articaine hydrochloride

C13H21ClN2O3SCAS 23964-57-0320.83 g/mol

Open in Covalent MOL file
NHOHNSOOHCl
EsterSecondary amine

Properties

Molecular formula
C13H21ClN2O3S
Molar mass
320.83 g/mol
Exact mass
320.0961 Da
Melting point
177–178 °C
logP
3.24Crippen estimate
Polar surface area
70.9 Ų
H-bond donors / acceptors
2 / 5
Rotatable bonds
6

Hazards

Warning
Irritant (GHS07)

Aggregated from 216 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
23964-57-0
SMILES
CCCNC(C)C(O)=Nc1c(C)csc1C(=O)OC.Cl
InChIKey
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

Weigh it out

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

Names and synonyms

14 names · show all
  • 2-Thiophenecarboxylic acid, 4-methyl-3-[[1-oxo-2-(propylamino)propyl]amino]-, methyl ester, hydrochloride (1:1)
  • 2-Thiophenecarboxylic acid, 4-methyl-3-[2-(propylamino)propionamido]-, methyl ester, monohydrochloride
  • 2-Thiophenecarboxylic acid, 4-methyl-3-[[1-oxo-2-(propylamino)propyl]amino]-, methyl ester, monohydrochloride
  • Methyl 4-methyl-3-[[1-oxo-2-(propylamino)propyl]amino]-2-thiophenecarboxylate hydrochloride
  • Carticaine hydrochloride
  • Ultracaine
  • Ultracain
  • HOE 045
  • Carticain
  • Septanest
  • HOE 40045
  • Ultacain
  • Carticaine chlorhydrate
  • Ubistesine

Work with Articaine hydrochloride

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.

Articaine23964-58-1Free base

Similar compounds

Prilocaine hydrochloride1786-81-851 % similar Prilocaine721-50-646 % similar Methyl 3-amino-4-methylthiophene-2-carboxylate85006-31-139 % similar Dimethyl 4-aminothiophene-2,3-dicarboxylate hydrochloride121071-71-435 % similar Methyl 3-methylthiophene-2-carboxylate81452-54-234 % similar 4-Butyrylamino-3-methyl-5-nitrobenzoic acid methyl ester152628-01-831 % similar Methyl 4-methylthiazole-5-carboxylate81569-44-031 % similar Bupivacaine hydrochloride14252-80-330 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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