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Cefixime EP Impurity C (Cefixime 7-epimer) (Purity > 90%)

CAT: 1596-AR-C01822-01Size: 100 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-C01822-01Size:100 Units
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CAS Number
108691-83-4
Synonyms
(6R,7S) -7- ((Z) -2- (2-aminothiazol-4-yl) -2- ((carboxymethoxy) imino) acetamido) -8-oxo-3-vinyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; (6R,7S) -7-[[ (2Z) -2- (2-Amino-4-thiazolyl) -2-[ (carboxymethoxy) imino]acetyl]amino]-3-ethenyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic Acid; Cefixime 7-Epimer; [6R-[6?,7? (Z) ]]-7-[[ (2-Amino-4-thiazolyl) [ (carboxymethoxy) imino]acetyl]amino]-3-ethenyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic Acid
Molecular Formula
C16H15N5O7S2
Molecular Weight
453.46
API Name
Cefixime

Chemical Information

Cefixime EP Impurity C
CAS Number108691-83-4
PubChem CID71314611
IUPAC Name(6R,7S)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(carboxymethoxyimino)acetyl]amino]-3-ethenyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Molecular FormulaC16H15N5O7S2
Molecular Weight453.5
XLogP-0.7
Topological Polar Surface Area238
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count12
Rotatable Bond Count8
Heavy Atom Count30
Formal Charge0
Complexity861
SMILES
C=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/C16H15N5O7S2/c1-2-6-4-29-14-10(13(25)21(14)11(6)15(26)27)19-12(24)9(20-28-3-8(22)23)7-5-30-16(17)18-7/h2,5,10,14H,1,3-4H2,(H2,17,18)(H,19,24)(H,22,23)(H,26,27)/b20-9-/t10-,14+/m0/s1
InChIKey
OKBVVJOGVLARMR-WVIRHPHLSA-N
Chemical Structure
2D Structure
2D structure of Cefixime EP Impurity C
CAS: 108691-83-4
CID: 71314611
Formula: C16H15N5O7S2
MW: 453.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight453.5
XLogP3-0.7
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count12
Rotatable Bond Count8
Exact Mass453.04129018
Monoisotopic Mass453.04129018
Topological Polar Surface Area238 Ų
Heavy Atom Count30
Formal Charge0
Complexity861
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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