Articaine

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Systematic / IUPAC Name: Methyl 4-methyl-3-(2-propylaminopropanoylamino)thiophene-2-carboxylate

ID: Reference1888

Other Names: Carticaine;
Methyl 4-methyl-3-[(N-propylalanyl)amino]thiophene-2-carboxylate;
4-Methyl-3-(2-(propylamino)propionamido)-2-thiophenecarboxylic acid, methyl ester

Formula: C13H20N2O3S

Class: Therapeutics/Prescription Drugs

Spectral Data

Articaine mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Q Exactive Plus Orbitrap
No. of Spectral Trees 1
No. of Spectra 39
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 1/16/2015 11:08:36 AM
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Identificators

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)
InChI Key QTGIAADRBBLJGA-UHFFFAOYSA-N
Canonical SMILES CCCNC(C)C(=O)NC1=C(SC=C1C)C(=O)OC
CAS 23964570
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Other Names Carticaine;
Methyl 4-methyl-3-[(N-propylalanyl)amino]thiophene-2-carboxylate;
4-Methyl-3-(2-(propylamino)propionamido)-2-thiophenecarboxylic acid, methyl ester

In Other Databases

KEGG D07468
ChEMBL CHEMBL1093
ChemIDPlus 023964581
Wikipedia Articaine
ChemSpider 29837
PubChem 32170