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Cefixime Impurity 1

CAT: 1299-RM-C241327-02Size: 25 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-C241327-02Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2682217-22-5
Synonyms
(6R,7R) -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 5,5-dioxide
Molecular Formula
C16H15N5O9S2
Molecular Weight
485.45
Target Alternative Name
Cefixime
Product Name Synonym
(6R,7R) -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 5,5-dioxide

Chemical Information

(6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(carboxymethoxyimino)acetyl]amino]-3-ethenyl-5,5,8-trioxo-5lambda6-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
CAS Number2682217-22-5
PubChem CID176476111
IUPAC Name(6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(carboxymethoxyimino)acetyl]amino]-3-ethenyl-5,5,8-trioxo-5lambda6-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Molecular FormulaC16H15N5O9S2
Molecular Weight485.5
XLogP-2
Topological Polar Surface Area255
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count13
Rotatable Bond Count8
Heavy Atom Count32
Formal Charge0
Complexity1050
SMILES
C=CC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)/C(=N\OCC(=O)O)/C3=CSC(=N3)N)S(=O)(=O)C1)C(=O)O
InChI
InChI=1S/C16H15N5O9S2/c1-2-6-5-32(28,29)14-10(13(25)21(14)11(6)15(26)27)19-12(24)9(20-30-3-8(22)23)7-4-31-16(17)18-7/h2,4,10,14H,1,3,5H2,(H2,17,18)(H,19,24)(H,22,23)(H,26,27)/b20-9-/t10-,14-/m1/s1
InChIKey
SGDHNZFQYCICKC-QSWIMTSFSA-N
Chemical Structure
2D Structure
2D structure of (6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(carboxymethoxyimino)acetyl]amino]-3-ethenyl-5,5,8-trioxo-5lambda6-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
CAS: 2682217-22-5
CID: 176476111
Formula: C16H15N5O9S2
MW: 485.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight485.5
XLogP3-2
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count13
Rotatable Bond Count8
Exact Mass485.03111942
Monoisotopic Mass485.03111942
Topological Polar Surface Area255 Ų
Heavy Atom Count32
Formal Charge0
Complexity1050
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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