Cas no 71091-93-5 (3-Desethenyl-3-methyl Cefdinir)

3-Desethenyl-3-methyl Cefdinir structure
71091-93-5 structure
Product Name:3-Desethenyl-3-methyl Cefdinir
CAS No:71091-93-5
MF:C13H13N5O5S2
MW:383.402819395065
CID:1005051
PubChem ID:15080822
Update Time:2025-04-20

3-Desethenyl-3-methyl Cefdinir Chemical and Physical Properties

Names and Identifiers

    • 3-Methyl cefdinir
    • (6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-hydroxyiminoacetyl]amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
    • 3-Desethenyl-3-methyl Cefdinir
    • CEFDINIR IMPURITY 1
    • Cefdinir CP impurity G
    • 5-THIA-1-AZABICYCLO(4.2.0)OCT-2-ENE-2-CARBOXYLIC ACID, 7-(((2-AMINO-4-THIAZOLYL)(HYDROXYIMINO)ACETYL)AMINO)-3-METHYL-8-OXO-, (6R-(6.ALPHA.,7.BETA.(Z)))-
    • SCHEMBL5487622
    • 5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7-(((2Z)-2-(2-amino-4-thiazolyl)-2-(hydroxyimino)acetyl)amino)-3-methyl-8-oxo-, (6R,7R)-
    • Cefdinir Impurity 1 (Impurity G)
    • 5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7-(((2-amino-4-thiazolyl)(hydroxyimino)acetyl)amino)-3-methyl-8-oxo-, (6R-(6alpha,7beta(Z)))-
    • 71091-93-5
    • Cefdinir impurity C
    • UNII-G9Y9M0S93M
    • G9Y9M0S93M
    • (6R ,7R )-7-((Z )-2-(2-Aminothiazol-4-yl)-2-(hydroxyimino)acetamido)-3-methyl-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid
    • Inchi: 1S/C13H13N5O5S2/c1-4-2-24-11-7(10(20)18(11)8(4)12(21)22)16-9(19)6(17-23)5-3-25-13(14)15-5/h3,7,11,23H,2H2,1H3,(H2,14,15)(H,16,19)(H,21,22)/b17-6-/t7-,11-/m1/s1
    • InChI Key: FMPXXFJEIVCXCL-ODXWQDPNSA-N
    • SMILES: S1CC(C)=C(C(=O)O)N2C([C@H]([C@@H]12)NC(/C(/C1=CSC(N)=N1)=N\O)=O)=O

Computed Properties

  • Exact Mass: 383.03581088g/mol
  • Monoisotopic Mass: 383.03581088g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 4
  • Hydrogen Bond Acceptor Count: 10
  • Heavy Atom Count: 25
  • Rotatable Bond Count: 4
  • Complexity: 696
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 2
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 1
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: -0.5
  • Topological Polar Surface Area: 212?2

Experimental Properties

  • Density: 2.0±0.1 g/cm3
  • Melting Point: NA
  • Boiling Point: NA

3-Desethenyl-3-methyl Cefdinir Security Information

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