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Cefixime Sulfoxide

CAT: 1596-AR-C01828-02Size: 25 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-C01828-02Size:25 Units
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CAS Number
1335555-87-7
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-oxide; Cefixime 1-Oxide
Molecular Formula
C16H15N5O8S2
Molecular Weight
469.44
API Name
Cefixime

Chemical Information

Cefixime 1-Oxide
CAS Number1335555-87-7
PubChem CID172934838
IUPAC Name(6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(carboxymethoxyimino)acetyl]amino]-3-ethenyl-5,8-dioxo-5lambda4-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Molecular FormulaC16H15N5O8S2
Molecular Weight469.5
XLogP-1
Topological Polar Surface Area249
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count13
Rotatable Bond Count8
Heavy Atom Count31
Formal Charge0
Complexity935
SMILES
C=CC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)/C(=N\OCC(=O)O)/C3=CSC(=N3)N)S(=O)C1)C(=O)O
InChI
InChI=1S/C16H15N5O8S2/c1-2-6-5-31(28)14-10(13(25)21(14)11(6)15(26)27)19-12(24)9(20-29-3-8(22)23)7-4-30-16(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-,31?/m1/s1
InChIKey
SDMNIGJRMFVGSY-LNXFEASCSA-N
Chemical Structure
2D Structure
2D structure of Cefixime 1-Oxide
CAS: 1335555-87-7
CID: 172934838
Formula: C16H15N5O8S2
MW: 469.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight469.5
XLogP3-1
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count13
Rotatable Bond Count8
Exact Mass469.03620480
Monoisotopic Mass469.03620480
Topological Polar Surface Area249 Ų
Heavy Atom Count31
Formal Charge0
Complexity935
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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