Cefcapene Pivoxil Impurity 43

CAT: 1299-RM-C031643-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-C031643-01Size:10 mg

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CAS Number

267881-71-0

Synonyms

Methyl (Z) -2- (2-aminothiazol-4-yl) pent-2-enoate

Molecular Formula

C9H12N2O2S

Molecular Weight

212.27

Target Alternative Name

Cefcapene Pivoxil

Chemical Information

Cefcapene Impurity 44

CAS Number	267881-71-0
PubChem CID	11449241
IUPAC Name	methyl (Z)-2-(2-amino-1,3-thiazol-4-yl)pent-2-enoate
Molecular Formula	C9H12N2O2S
Molecular Weight	212.27
XLogP	1.7
Topological Polar Surface Area	93.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Heavy Atom Count	14
Formal Charge	0
Complexity	243

SMILES

CC/C=C(/C1=CSC(=N1)N)\C(=O)OC

InChI

InChI=1S/C9H12N2O2S/c1-3-4-6(8(12)13-2)7-5-14-9(10)11-7/h4-5H,3H2,1-2H3,(H2,10,11)/b6-4-

InChIKey

YOTSQNHADQTUPF-XQRVVYSFSA-N

Chemical Structure

2D Structure

CAS: 267881-71-0

CID: 11449241

Formula: C9H12N2O2S

MW: 212.27

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	212.27
XLogP3	1.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Exact Mass	212.06194880
Monoisotopic Mass	212.06194880
Topological Polar Surface Area	93.5 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	243
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
sc-207414	Cefcapene Pivoxil
005856	Cefcapene Pivoxil Hydrochloride
HY-135221-01	Cefcapene pivoxil (hydrochloride)
sc-217853	Cefcapene Pivoxil-d9
TRC-C242560-5MG	Delta2-Cefcapene Pivoxil
sc-500378	Delactam cefcapene pivoxil