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Cefixime EP Impurity E (Purity > 90%)

CAT: 1596-AR-C01824-04Size: 250 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-C01824-04Size:250 Units
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CAS Number
72701-01-0
Synonyms
(6R,7R) -7- ((Z) -2- (2-aminothiazol-4-yl) -2- ((carboxymethoxy) imino) acetamido) -3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; 3-Desethenyl-3-methyl Cefixime (Cefixime EP Impurity E)
Molecular Formula
C15H15N5O7S2
Molecular Weight
441.43
API Name
Cefixime

Chemical Information

Cefixime EP Impurity E
CAS Number72701-01-0
PubChem CID71315623
IUPAC Name(6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(carboxymethoxyimino)acetyl]amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Molecular FormulaC15H15N5O7S2
Molecular Weight441.4
XLogP-1.1
Topological Polar Surface Area238
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count12
Rotatable Bond Count7
Heavy Atom Count29
Formal Charge0
Complexity817
SMILES
CC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)/C(=N\OCC(=O)O)/C3=CSC(=N3)N)SC1)C(=O)O
InChI
InChI=1S/C15H15N5O7S2/c1-5-3-28-13-9(12(24)20(13)10(5)14(25)26)18-11(23)8(19-27-2-7(21)22)6-4-29-15(16)17-6/h4,9,13H,2-3H2,1H3,(H2,16,17)(H,18,23)(H,21,22)(H,25,26)/b19-8-/t9-,13-/m1/s1
InChIKey
ZDMZWMRTKADQNC-HBWVYFAYSA-N
Chemical Structure
2D Structure
2D structure of Cefixime EP Impurity E
CAS: 72701-01-0
CID: 71315623
Formula: C15H15N5O7S2
MW: 441.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight441.4
XLogP3-1.1
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count12
Rotatable Bond Count7
Exact Mass441.04129018
Monoisotopic Mass441.04129018
Topological Polar Surface Area238 Ų
Heavy Atom Count29
Formal Charge0
Complexity817
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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