Cas no 67763-92-2 (5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylicacid,7-[[(3,5-dichloro-4-oxo-1(4H)-pyridinyl)acetyl]amino]-3-[[(1-methyl-1H-tetrazol-5-yl)thio]methyl]-8-oxo-,monosodium salt, (6R,7R)- (9CI))

5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylicacid,7-[[(3,5-dichloro-4-oxo-1(4H)-pyridinyl)acetyl]amino]-3-[[(1-methyl-1H-tetrazol-5-yl)thio]methyl]-8-oxo-,monosodium salt, (6R,7R)- (9CI) structure
67763-92-2 structure
Product Name:5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylicacid,7-[[(3,5-dichloro-4-oxo-1(4H)-pyridinyl)acetyl]amino]-3-[[(1-methyl-1H-tetrazol-5-yl)thio]methyl]-8-oxo-,monosodium salt, (6R,7R)- (9CI)
CAS No:67763-92-2
MF:C17H14Cl2N7NaO5S2
MW:554.362728595734
CID:520089
PubChem ID:23674724
Update Time:2025-04-19

5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylicacid,7-[[(3,5-dichloro-4-oxo-1(4H)-pyridinyl)acetyl]amino]-3-[[(1-methyl-1H-tetrazol-5-yl)thio]methyl]-8-oxo-,monosodium salt, (6R,7R)- (9CI) Chemical and Physical Properties

Names and Identifiers

    • 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylicacid,7-[[(3,5-dichloro-4-oxo-1(4H)-pyridinyl)acetyl]amino]-3-[[(1-methyl-1H-tetrazol-5-yl)thio]methyl]-8-oxo-,monosodium salt, (6R,7R)- (9CI)
    • EMD 29 946
    • DTXSID00218027
    • 67763-92-2
    • EMD-29946
    • Emd 29946
    • 5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7-(((3,5-dichloro-4-oxo-1(4H)-pyridinyl)acetyl)amino)-3-(((1-methyl-1H-tetrazol-5-yl)thio)methyl)-8-oxo-, monosodium salt, (6R-trans)-
    • Inchi： 1S/C17H15Cl2N7O5S2.Na/c1-24-17(21-22-23-24)33-6-7-5-32-15-11(14(29)26(15)12(7)16(30)31)20-10(27)4-25-2-8(18)13(28)9(19)3-25;/h2-3,11,15H,4-6H2,1H3,(H,20,27)(H,30,31);/q;+1/p-1/t11-,15-;/m1./s1
    • InChI Key： BFCPNQWBMWYLPX-GPKQSYPGSA-M
    • SMILES： ClC1C(C(=CN(C=1)CC(N[C@@H]1C(N2C(C(=O)[O-])=C(CSC3=NN=NN3C)CS[C@@H]21)=O)=O)Cl)=O.[Na+]

Computed Properties

  • Exact Mass: 552.97762
  • Monoisotopic Mass: 552.977258
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 10
  • Heavy Atom Count: 34
  • Rotatable Bond Count: 7
  • Complexity: 991
  • Covalently-Bonded Unit Count: 2
  • Defined Atom Stereocenter Count: 2
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 204

Experimental Properties

  • PSA: 153.45

5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylicacid,7-[[(3,5-dichloro-4-oxo-1(4H)-pyridinyl)acetyl]amino]-3-[[(1-methyl-1H-tetrazol-5-yl)thio]methyl]-8-oxo-,monosodium salt, (6R,7R)- (9CI) Related Literature

67763-92-2 (5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylicacid,7-[[(3,5-dichloro-4-oxo-1(4H)-pyridinyl)acetyl]amino]-3-[[(1-methyl-1H-tetrazol-5-yl)thio]methyl]-8-oxo-,monosodium salt, (6R,7R)- (9CI)) Related Products

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