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Articaine Impurity 28

CAT: 1299-RM-A181028-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-A181028-01Size:10 mg
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CAS Number
161448-93-7
Synonyms
Ethyl 4-methyl-3- (2- (propylamino) propanamido) thiophene-2-carboxylate
Molecular Formula
C14H22N2O3S
Molecular Weight
298.4
Target Alternative Name
Articaine
Product Name Synonym
Ethyl 4-methyl-3- (2- (propylamino) propanamido) thiophene-2-carboxylate

Chemical Information

Articaine Impurity 28
CAS Number161448-93-7
PubChem CID22076669
IUPAC Nameethyl 4-methyl-3-[2-(propylamino)propanoylamino]thiophene-2-carboxylate
Molecular FormulaC14H22N2O3S
Molecular Weight298.40
XLogP3.1
Topological Polar Surface Area95.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count8
Heavy Atom Count20
Formal Charge0
Complexity338
SMILES
CCCNC(C)C(=O)NC1=C(SC=C1C)C(=O)OCC
InChI
InChI=1S/C14H22N2O3S/c1-5-7-15-10(4)13(17)16-11-9(3)8-20-12(11)14(18)19-6-2/h8,10,15H,5-7H2,1-4H3,(H,16,17)
InChIKey
PAGIBGJDQXJNKV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Articaine Impurity 28
CAS: 161448-93-7
CID: 22076669
Formula: C14H22N2O3S
MW: 298.40
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight298.40
XLogP33.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count8
Exact Mass298.13511374
Monoisotopic Mass298.13511374
Topological Polar Surface Area95.7 Ų
Heavy Atom Count20
Formal Charge0
Complexity338
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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Alternative Products

CatalogName
AR-A07148-01Articaine Impurity 1
AR-A02609-01Articaine EP Impurity I
AR-A07151-01Articaine EP Impurity B HCl (Articaine Acid HCl)
AR-A02610-01Articaine EP Impurity J
AR-A07146-01Articaine Impurity A (Acetamidoarticaine HCl)
AR-A02603-01Articaine EP Impurity C HCl (Articaine Isopropyl Ester HCl)
AR-A02606-01Articaine EP Impurity F HCl (Articaine Acid Propionamide HCl)
AR-A07155-01Articaine EP Impurity H HCl
AR-A02601-01Articaine EP Impurity A (Acetamidoarticaine HCl)
AR-A07147-01Articaine Impurity E (Isopropylarticaine HCl)

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