Cas no 859-07-4 (5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylicacid, 3-[(acetyloxy)methyl]-8-oxo-7-[(2-phenylacetyl)amino]-, (6R,7R)-)

5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylicacid, 3-[(acetyloxy)methyl]-8-oxo-7-[(2-phenylacetyl)amino]-, (6R,7R)- structure
859-07-4 structure
Product Name:5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylicacid, 3-[(acetyloxy)methyl]-8-oxo-7-[(2-phenylacetyl)amino]-, (6R,7R)-
CAS No:859-07-4
MF:C18H18N2O6S
MW:390.410323619843
CID:724386
PubChem ID:68940
Update Time:2025-04-19

5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylicacid, 3-[(acetyloxy)methyl]-8-oxo-7-[(2-phenylacetyl)amino]-, (6R,7R)- Chemical and Physical Properties

Names and Identifiers

    • 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylicacid, 3-[(acetyloxy)methyl]-8-oxo-7-[(2-phenylacetyl)amino]-, (6R,7R)-
    • cefaloram
    • (6R,7R)-3-(acetoxymethyl)-8-keto-7-[(2-phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
    • (6R,7R)-3-(Acetoxymethyl)-8-oxo-7-[(phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
    • (6R,7R)-3-(acetyloxymethyl)-8-oxo-7-(2-phenylethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
    • (7R)-7-(Phenylacetylamino)-3-(acetoxymethyl)cepham-3-ene-4-carboxylic acid
    • Phenylacetamidocephalothin
    • K3086GQJ9Z
    • F96774
    • DTXSID9046106
    • Cefaloramum [INN-Latin]
    • Cefaloramo [INN-Spanish]
    • (6R,7R)-3-(acetyloxymethyl)-8-oxo-7-[(2-phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
    • (6R,7R)-3-(acetoxymethyl)-8-oxo-7-(2-phenylacetamido)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylicacid
    • Cefaloram [INN:BAN]
    • Cefaloram [INN]
    • SMR001554387
    • Q27281875
    • Cefaloramo
    • Cephaloram
    • Cefaloramum
    • (6R,7R)-3-[(ACETYLOXY)METHYL]-8-OXO-7-(2-PHENYLACETAMIDO)-5-THIA-1-AZABICYCLO[4.2.0]OCT-2-ENE-2-CARBOXYLIC ACID
    • CAS-859-07-4
    • DTXCID7026106
    • (6R,7R)-3-(Acetoxymethyl)-8-oxo-7-(2-phenylacetamido)-5-thia-1-azabicyclo(4.2.0)oct-2-en-2-carbonsaeure
    • UNII-K3086GQJ9Z
    • MLS002666834
    • 859-07-4
    • NCGC00160359-01
    • CHEMBL1700858
    • Tox21_111761
    • CHEBI:192380
    • (6R,7R)-3-(acetoxymethyl)-8-oxo-7-(2-phenylacetamido)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
    • SCHEMBL612836
    • EINECS 212-725-1
    • NS00011582
    • 3-(Acetoxymethyl)-8-oxo-7-(phenylacetamido)-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid
    • Inchi： 1S/C18H18N2O6S/c1-10(21)26-8-12-9-27-17-14(16(23)20(17)15(12)18(24)25)19-13(22)7-11-5-3-2-4-6-11/h2-6,14,17H,7-9H2,1H3,(H,19,22)(H,24,25)/t14-,17-/m1/s1
    • InChI Key： GOFCPYKUMJBHBH-RHSMWYFYSA-N
    • SMILES： S1CC(COC(C)=O)=C(C(=O)O)N2C([C@H]([C@@H]12)NC(CC1C=CC=CC=1)=O)=O

Computed Properties

  • Exact Mass: 390.08900
  • Monoisotopic Mass: 390.089
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 7
  • Heavy Atom Count: 27
  • Rotatable Bond Count: 7
  • Complexity: 685
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 2
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 0.2
  • Topological Polar Surface Area: 138A^2

Experimental Properties

  • Density: 1.48
  • Boiling Point: 742.8°C at 760 mmHg
  • Flash Point: 403°C
  • Refractive Index: 1.66
  • PSA: 138.31000
  • LogP: 0.85960

5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylicacid, 3-[(acetyloxy)methyl]-8-oxo-7-[(2-phenylacetyl)amino]-, (6R,7R)- Related Literature

859-07-4 (5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylicacid, 3-[(acetyloxy)methyl]-8-oxo-7-[(2-phenylacetyl)amino]-, (6R,7R)-) Related Products

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