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Desacetyloxyethyl (E) -Cefuroxime Axetil

CAT: 1596-AR-C04044-01Size: 150Dry Ice: NoHazardous: No
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CAS Number
97232-97-8
Synonyms
[6R-[6?,7? (E) ]]-3-[[ (Aminocarbonyl) oxy]methyl]-7-[[2-furanyl (methoxyimino) acetyl]amino]-8-oxo-5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic Acid; (6R,7R) -3- ((Carbamoyloxy) methyl) -7- ((E) -2- (furan-2-yl) -2- (methoxyimino) acetamido) -8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic Acid; Cefuroxime Sodium EP Impurity E
Molecular Formula
C16H16N4O8S
Molecular Weight
424.39
API Name
Cefuroxime

Chemical Information

trans-Cefuroxime

(6R,7R)-3-(carbamoyloxymethyl)-7-[[2-(2-furanyl)-2-methoxyimino-1-oxoethyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid is a carbamate ester and a cephalosporin.

CAS Number97232-97-8
PubChem CID5361202
IUPAC Name(6R,7R)-3-(carbamoyloxymethyl)-7-[[(2E)-2-(furan-2-yl)-2-methoxyiminoacetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Molecular FormulaC16H16N4O8S
Molecular Weight424.4
XLogP-0.2
Topological Polar Surface Area199
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count10
Rotatable Bond Count8
Heavy Atom Count29
Formal Charge0
Complexity798
SMILES
CO/N=C(\C1=CC=CO1)/C(=O)N[C@H]2[C@@H]3N(C2=O)C(=C(CS3)COC(=O)N)C(=O)O
InChI
InChI=1S/C16H16N4O8S/c1-26-19-9(8-3-2-4-27-8)12(21)18-10-13(22)20-11(15(23)24)7(5-28-16(17)25)6-29-14(10)20/h2-4,10,14H,5-6H2,1H3,(H2,17,25)(H,18,21)(H,23,24)/b19-9+/t10-,14-/m1/s1
InChIKey
JFPVXVDWJQMJEE-SWWZKJRFSA-N
Chemical Structure
2D Structure
2D structure of trans-Cefuroxime
CAS: 97232-97-8
CID: 5361202
Formula: C16H16N4O8S
MW: 424.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight424.4
XLogP3-0.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count10
Rotatable Bond Count8
Exact Mass424.06888465
Monoisotopic Mass424.06888465
Topological Polar Surface Area199 Ų
Heavy Atom Count29
Formal Charge0
Complexity798
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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XDA23297-01Desacetyloxyethyl (E) -cefuroxime axetil
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