Cas no 23294-22-6 (5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylicacid, 3-[(acetyloxy)methyl]-8-oxo-7-[(3-pyridinylacetyl)amino]-, monosodiumsalt, (6R-trans)- (9CI))

5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylicacid, 3-[(acetyloxy)methyl]-8-oxo-7-[(3-pyridinylacetyl)amino]-, monosodiumsalt, (6R-trans)- (9CI) structure
23294-22-6 structure
Product Name:5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylicacid, 3-[(acetyloxy)methyl]-8-oxo-7-[(3-pyridinylacetyl)amino]-, monosodiumsalt, (6R-trans)- (9CI)
CAS No:23294-22-6
MF:C17H16N3NaO6S
MW:413.380213737488
CID:273999
PubChem ID:137321726
Update Time:2025-04-19

5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylicacid, 3-[(acetyloxy)methyl]-8-oxo-7-[(3-pyridinylacetyl)amino]-, monosodiumsalt, (6R-trans)- (9CI) 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-[(3-pyridinylacetyl)amino]-, monosodiumsalt, (6R-trans)- (9CI)
    • 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylicacid, 3-[(acetyloxy)methyl]-8-oxo-7-[(3-pyridinylacetyl)amino]-, monosodiumsa
    • 5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 3-((acetyloxy)methyl)-8-oxo-7-((3-pyridinylacetyl)amino)-, monosodium salt, (6R-trans)-
    • Sodium 7-(3-pyridylacetamido)cephalosporanate
    • UNII-E3Z9HB7794
    • E3Z9HB7794
    • 23294-22-6
    • Inchi： 1S/C17H17N3O6S.Na/c1-9(21)26-7-11-8-27-16-13(15(23)20(16)14(11)17(24)25)19-12(22)5-10-3-2-4-18-6-10;/h2-4,6,13,16H,5,7-8H2,1H3,(H,19,22)(H,24,25);/q;+1/p-1/t13-,16-;/m1./s1
    • InChI Key： FHKBJLXSWCPIRG-OALZAMAHSA-M
    • SMILES： S1CC(COC(C)=O)=C(C(=O)[O-])N2C([C@H]([C@@H]12)NC(CC1C=NC=CC=1)=O)=O.[Na+]

Computed Properties

  • Exact Mass: 413.06588
  • Monoisotopic Mass: 413.065751
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 8
  • Heavy Atom Count: 28
  • Rotatable Bond Count: 7
  • Complexity: 700
  • Covalently-Bonded Unit Count: 2
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 2
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 154

Experimental Properties

  • Boiling Point: 778.9°Cat760mmHg
  • Flash Point: 424.9°C
  • PSA: 128.73

5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylicacid, 3-[(acetyloxy)methyl]-8-oxo-7-[(3-pyridinylacetyl)amino]-, monosodiumsalt, (6R-trans)- (9CI) Related Literature

23294-22-6 (5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylicacid, 3-[(acetyloxy)methyl]-8-oxo-7-[(3-pyridinylacetyl)amino]-, monosodiumsalt, (6R-trans)- (9CI)) Related Products

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