Cas no 555268-75-2 (3-(Carbamoyloxymethyl)-7-[[2-(furan-2-yl)-2-methoxyiminoacetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid)

3-(Carbamoyloxymethyl)-7-[[2-(furan-2-yl)-2-methoxyiminoacetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid structure
555268-75-2 structure
Product Name:3-(Carbamoyloxymethyl)-7-[[2-(furan-2-yl)-2-methoxyiminoacetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
CAS No:555268-75-2
MF:C16H16N4O8S
MW:424.385242462158
CID:944088
Update Time:2023-08-02

3-(Carbamoyloxymethyl)-7-[[2-(furan-2-yl)-2-methoxyiminoacetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Chemical and Physical Properties

Names and Identifiers

    • cefuroxime free acid
    • cefuroxime
    • Cefuroxim
    • 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
    • Spectrum_001423
    • Spectrum3_001492
    • Spectrum2_000706
    • Spectrum4_000156
    • KBioGR_000632
    • KBioSS_001903
    • DivK1c_000159
    • SPBio_000891
    • KBio3_002603
    • KBio2_007039
    • KBio1_000159
    • KBio2_004471
    • KBio2_001903
    • NINDS_000159
    • (6R,7R)-3-(carbamoyloxymethyl)-7-[[(2Z)-2-(furan-2-yl)-2-methoxyiminoacetyl]amino]-8-oxo-5-thia-1-azabicyclo[
    • 3-(Carbamoyloxymethyl)-7-[[2-(furan-2-yl)-2-methoxyiminoacetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.
    • 3-(Carbamoyloxymethyl)-7-[[2-(furan-2-yl)-2-methoxyiminoacetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
    • 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)
    • InChI Key: JFPVXVDWJQMJEE-UHFFFAOYSA-N
    • SMILES: S1CC(COC(N)=O)=C(C(=O)O)N2C(C(C12)NC(C(C1=CC=CO1)=NOC)=O)=O

Computed Properties

  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 10
  • Heavy Atom Count: 29
  • Rotatable Bond Count: 8
  • Complexity: 798
  • XLogP3: -0.2
  • Topological Polar Surface Area: 199
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