Cas no 111900-24-4 (trans-Cefprozil)

trans-Cefprozil structure
trans-Cefprozil structure
Product Name:trans-Cefprozil
CAS No:111900-24-4
MF:C18H21N3O6S
MW:407.440843343735
CID:827312
PubChem ID:6436628
Update Time:2025-04-19

trans-Cefprozil Chemical and Physical Properties

Names and Identifiers

    • trans-Cefprozil
    • Cefprozil (E)-Isomer (50 mg)
    • (6R,7R)-7-((R)-2-Amino-2-(p-hydroxyphenyl)acetamido)-8-oxo-3-(1E)-propenyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid monohydrate
    • Cefprozil e-form
    • HY-B0458
    • 5-THIA-1-AZABICYCLO(4.2.0)OCT-2-ENE-2-CARBOXYLIC ACID, 7-((AMINO(4-HYDROXYPHENYL)ACETYL)AMINO)-8-OXO-3-(1-PROPENYL)-, MONOHYDRATE, (6R-(3(E),6.ALPHA.,7.BETA.(R*)))-
    • Cefprozil hydrate (Cefzil)
    • Cefprozil [USAN:USP:INN:BAN]
    • UNII-3ADV90MJVU
    • Cefzil (TN)
    • 5-Thia-1-azabicyclo(4.2.0)oct-2-oxo-2-carboxylic acid, 7-(((2R)-amino(4-hydroxyphenyl)acetyl)amino)-8-oxo-3-(1-propenyl)-, monohydrate, (6R,7R)-
    • C71745
    • Tox21_111731
    • CEFPROZIL, (E)-ISOMER
    • 4W0459ZA4V
    • Cefzil
    • Cefprozil, (E)-
    • UNII-4W0459ZA4V
    • Cefprozil (USP)
    • AKOS040733092
    • ALYUMNAHLSSTOU-CIRGZYLNSA-N
    • DTXCID1026085
    • SCHEMBL718721
    • NCGC00159513-02
    • Cefprozil hydrate
    • (6R,7R)-7-[[(2R)-2-amino-2-(4-hydroxyphenyl)acetyl]amino]-8-oxo-3-[(E)-prop-1-enyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid;hydrate
    • Cefprozil (monohydrate)
    • 92665-29-7
    • CHEMBL5314373
    • D00261
    • 121123-17-9
    • 1ST157166
    • 5-Thia-1-azabicyclo(4.2.0)oct-2-oxo-2-carboxylic acid, 7-((amino(4-hydroxyphenyl)acetyl)amino)-8-oxo-3-(1-propenyl)-, monohydrate, (6R-(6alpha,7beta(R*))-)-
    • (6R,7R)-7-((R)-2-amino-2-(4-hydroxyphenyl)acetamido)-8-oxo-3-((E)-prop-1-en-1-yl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid hydrate
    • NSC 759099
    • SCHEMBL1230160
    • s2544
    • CEFPROZIL, E-ISOMER
    • (E)-cefprozil hydrate
    • AKOS015895264
    • Cefprozil monohydrate
    • Q27256965
    • MFCD00911719
    • BMY-28100-03-800
    • J-004449
    • 111900-24-4
    • (6R,7R)-7-((R)-2-Amino-2-(p-hydroxyphenyl)acetamido)-8-oxo-3-propenyl-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid
    • KS-1039
    • 5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7-((amino(4-hydroxyphenyl)acetyl)amino)-8-oxo-3-(1-propenyl)-, monohydrate, (6R-(6alpha,7beta(R*)))-
    • DTXSID3046085
    • CAS-121123-17-9
    • 5-THIA-1-AZABICYCLO(4.2.0)OCT-2-ENE-2-CARBOXYLIC ACID, 7-(((2R)-2-AMINO-2-(4-HYDROXYPHENYL)ACETYL)AMINO)-8-OXO-3-(1E)-1-PROPEN-1-YL-, HYDRATE (1:1), (6R,7R)-
    • (6R,7R)-7-((R)-2-amino-2-(4-hydroxyphenyl)acetamido)-8-oxo-3-((E)-prop-1-enyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid hydrate
    • 3ADV90MJVU
    • Inchi: 1S/C18H19N3O5S.H2O/c1-2-3-10-8-27-17-13(16(24)21(17)14(10)18(25)26)20-15(23)12(19)9-4-6-11(22)7-5-9;/h2-7,12-13,17,22H,8,19H2,1H3,(H,20,23)(H,25,26);1H2/b3-2+;/t12-,13-,17-;/m1./s1
    • InChI Key: ALYUMNAHLSSTOU-CIRGZYLNSA-N
    • SMILES: S1CC(/C=C/C)=C(C(=O)O)N2C([C@H]([C@@H]12)NC([C@@H](C1C=CC(=CC=1)O)N)=O)=O.O

Computed Properties

  • Exact Mass: 407.11510657g/mol
  • Monoisotopic Mass: 407.11510657g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 5
  • Hydrogen Bond Acceptor Count: 8
  • Heavy Atom Count: 28
  • Rotatable Bond Count: 5
  • Complexity: 699
  • Covalently-Bonded Unit Count: 2
  • Defined Atom Stereocenter Count: 3
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 1
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 159?2
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