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Articaine

CAT: 0572-TRC-A777900-25MGSize: 25 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-A777900-25MGSize:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
23964-58-1
Synonyms
4-Methyl-3-[[1-oxo-2-(propylamino)propyl]amino]-2-thiophenecarboxylic Acid Methyl Ester; 4-Methyl-3-[2-(propylamino)propionamido]-2-thiophenecarboxylic Acid Methyl Ester (8CI); Articaine; Carticaine
Hazard Statement
Harmful if swallowed
Purity
>95% (HPLC)
Smiles
CCCNC(C)C(=O)Nc1c(C)csc1C(=O)OC
Molecular Formula
C13 H20 N2 O3 S
Molecular Weight
284.37
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)
Additionnal Information
IUPAC name: methyl 4-methyl-3-[2-(propylamino)propanoylamino]thiophene-2-carboxylate
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

Articaine

4-methyl-3-[[1-oxo-2-(propylamino)propyl]amino]-2-thiophenecarboxylic acid methyl ester is a thiophenecarboxylic acid.

CAS Number23964-58-1
PubChem CID32170
IUPAC Namemethyl 4-methyl-3-[2-(propylamino)propanoylamino]thiophene-2-carboxylate
Molecular FormulaC13H20N2O3S
Molecular Weight284.38
XLogP2.8
Topological Polar Surface Area95.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Heavy Atom Count19
Formal Charge0
Complexity325
SMILES
CCCNC(C)C(=O)NC1=C(SC=C1C)C(=O)OC
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)
InChIKey
QTGIAADRBBLJGA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Articaine
CAS: 23964-58-1
CID: 32170
Formula: C13H20N2O3S
MW: 284.38
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight284.38
XLogP32.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Exact Mass284.11946368
Monoisotopic Mass284.11946368
Topological Polar Surface Area95.7 Ų
Heavy Atom Count19
Formal Charge0
Complexity325
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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