Articaine Impurity 32

CAT: 1299-RM-A181032-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-A181032-01Size:10 mg

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CAS Number

1174316-17-6

Synonyms

Methyl 5- ((tert-butoxycarbonyl) (methyl) amino) thiophene-2-carboxylate

Molecular Formula

C12H17NO4S

Molecular Weight

271.33

Target Alternative Name

Articaine

Product Name Synonym

Methyl 5- ((tert-butoxycarbonyl) (methyl) amino) thiophene-2-carboxylate

Chemical Information

Methyl 5-(tert-butoxycarbonyl(methyl)amino)thiophene-2-carboxylate

CAS Number	1174316-17-6
PubChem CID	131637506
IUPAC Name	methyl 5-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]thiophene-2-carboxylate
Molecular Formula	C12H17NO4S
Molecular Weight	271.33
XLogP	2.9
Topological Polar Surface Area	84.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	5
Heavy Atom Count	18
Formal Charge	0
Complexity	327

SMILES

CC(C)(C)OC(=O)N(C)C1=CC=C(S1)C(=O)OC

InChI

InChI=1S/C12H17NO4S/c1-12(2,3)17-11(15)13(4)9-7-6-8(18-9)10(14)16-5/h6-7H,1-5H3

InChIKey

BZKQHHLHGDCHQW-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1174316-17-6

CID: 131637506

Formula: C12H17NO4S

MW: 271.33

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	271.33
XLogP3	2.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	5
Exact Mass	271.08782920
Monoisotopic Mass	271.08782920
Topological Polar Surface Area	84.1 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	327
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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