Molecular Identity
Articaine
methyl 4-methyl-3-[2-(propylamino)propanoylamino]thiophene-2-carboxylate
PubChem CID: 32170
4-methyl-3-[[1-oxo-2-(propylamino)propyl]amino]-2-thiophenecarboxylic acid methyl ester is a thiophenecarboxylic acid.
2D Structure
Properties
C13H20N2O3S
Molecular Formula
284.38
Molecular Weight
g/mol
284.1195
Exact Mass
Da
2.8
XLogP
Drug-like (Lipinski: < 5)
95.7
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
5
H-Bond Acceptors
325
Complexity
SMILES
Canonical SMILES
SMILES: CCCNC(C)C(=O)NC1=C(SC=C1C)C(=O)OCIsomeric SMILES
SMILES: CCCNC(C)C(=O)NC1=C(SC=C1C)C(=O)OCSynonyms(20)
Articaine23964-58-1CarticaineArticainaArticainumSeptocaineD3SQ406G9XDTXSID7048536methyl 4-methyl-3-[2-(propylamino)propanamido]thiophene-2-carboxylatemethyl 4-methyl-3-(2-(propylamino)propanamido)thiophene-2-carboxylate2-Thiophenecarboxylic acid, 4-methyl-3-((1-oxo-2-(propylamino)propyl)amino)-, methyl esterArticadentArticainCarticainOrabloc
Data from PubChem (NCBI)
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Drug Network
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