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Cefixime Impurity (7-AVCA)

CAT: 1596-AR-C01826-02Size: 150Dry Ice: NoHazardous: No
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CAS Number
79349-82-9
Synonyms
(6R,7R) -7-amino-8-oxo-3-vinyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; 7-Amino-3-vinyl-3-cephem-4-carboxylic Acid; (6R,7R) -7-Amino-3-ethenyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic Acid; (6R-trans) -7-Amino-3-ethenyl-8-oxo-5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic Acid; 7-AVCA
Molecular Formula
C9H10N2O3S
Molecular Weight
226.25
API Name
Cefixime

Chemical Information

(6R,7R)-7-Amino-8-oxo-3-vinyl-5-thia-1-aza-bicyclo(4,2,0)oct-2-ene-2-carboxylic acid
CAS Number79349-82-9
PubChem CID7280824
IUPAC Name(6R,7R)-7-amino-3-ethenyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Molecular FormulaC9H10N2O3S
Molecular Weight226.25
XLogP-2.8
Topological Polar Surface Area109
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Heavy Atom Count15
Formal Charge0
Complexity391
SMILES
C=CC1=C(N2[C@@H]([C@@H](C2=O)N)SC1)C(=O)O
InChI
InChI=1S/C9H10N2O3S/c1-2-4-3-15-8-5(10)7(12)11(8)6(4)9(13)14/h2,5,8H,1,3,10H2,(H,13,14)/t5-,8-/m1/s1
InChIKey
GQLGFBRMCCVQLU-SVGQVSJJSA-N
Chemical Structure
2D Structure
2D structure of (6R,7R)-7-Amino-8-oxo-3-vinyl-5-thia-1-aza-bicyclo(4,2,0)oct-2-ene-2-carboxylic acid
CAS: 79349-82-9
CID: 7280824
Formula: C9H10N2O3S
MW: 226.25
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight226.25
XLogP3-2.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Exact Mass226.04121336
Monoisotopic Mass226.04121336
Topological Polar Surface Area109 Ų
Heavy Atom Count15
Formal Charge0
Complexity391
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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