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Cefixime

CAT: 0926-EDA35037Size: 10 gDry Ice: NoHazardous: No
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CAT#:0926-EDA35037Size:10 g
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CAS Number
79350-37-1
MDL Number
MFCD00865020
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
Molecular Formula
C16H15N5O7S2
Molecular Weight
453.45 g/mol
Controlled
No

Chemical Information

Cefixime

Cefixime is a third-generation cephalosporin antibiotic bearing vinyl and (2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-[(carboxymethoxy)imino]acetamido groups at positions 3 and 7, respectively, of the cephem skeleton. It is used in the treatment of gonorrhoea, tonsilitis, pharyngitis, bronchitis, and urinary tract infections. It has a role as an antibacterial drug and a drug allergen.

CAS Number79350-37-1
PubChem CID5362065
IUPAC Name(6R,7R)-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-/m1/s1
InChIKey
OKBVVJOGVLARMR-QSWIMTSFSA-N
Chemical Structure
2D Structure
2D structure of Cefixime
CAS: 79350-37-1
CID: 5362065
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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