Cas no 152824-70-9 (5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylicacid,3-[[(aminocarbonyl)oxy]methyl]-7-[[(2Z)-2-(2-amino-4-thiazolyl)-1-oxo-2-penten-1-yl]amino]-8-oxo-,sodium salt (1:1), (6R,7R)-)

5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylicacid,3-[[(aminocarbonyl)oxy]methyl]-7-[[(2Z)-2-(2-amino-4-thiazolyl)-1-oxo-2-penten-1-yl]amino]-8-oxo-,sodium salt (1:1), (6R,7R)- structure
152824-70-9 structure
Product Name:5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylicacid,3-[[(aminocarbonyl)oxy]methyl]-7-[[(2Z)-2-(2-amino-4-thiazolyl)-1-oxo-2-penten-1-yl]amino]-8-oxo-,sodium salt (1:1), (6R,7R)-
CAS No:152824-70-9
MF:C17H18N5NaO6S2
MW:475.474491596222
CID:166687
PubChem ID:23690056
Update Time:2025-04-19

5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylicacid,3-[[(aminocarbonyl)oxy]methyl]-7-[[(2Z)-2-(2-amino-4-thiazolyl)-1-oxo-2-penten-1-yl]amino]-8-oxo-,sodium salt (1:1), (6R,7R)- Chemical and Physical Properties

Names and Identifiers

    • 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylicacid,3-[[(aminocarbonyl)oxy]methyl]-7-[[(2Z)-2-(2-amino-4-thiazolyl)-1-oxo-2-penten-1-yl]amino]-8-oxo-,sodium salt (1:1), (6R,7R)-
    • 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylicacid,3-[[(aminocarbonyl)oxy]methyl]-7-[[(2Z)-2-(2-amino-4-thiazolyl)-1-oxo-2-
    • 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylicacid,3-[[(aminocarbonyl)oxy]methyl]-7-[[(2Z)-2...
    • sodium (6R,7R)-7-[[(E)-2-(2-amino-1,3-thiazol-4-yl)pent-2-enoyl]amino] -3-(carbamoyloxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-ca rboxylate
    • 5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 3-(((aminocarbonyl)oxy)methyl)-7-((2-(2-amino-4-thiazolyl)-1-oxo-2-pentenyl)amino)-8-oxo-, monosodium salt(6R-(6-alpha,7-beta(Z)))-
    • S-1006 sodium
    • sodium (6R,7R)-7-{[(2E)-2-(2-amino-1,3-thiazol-4-yl)pent-2-enoyl]amino}-3-[(carbamoyloxy)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
    • sodium;(6R,7R)-7-[[(E)-2-(2-amino-1,3-thiazol-4-yl)pent-2-enoyl]amino]-3-(carbamoyloxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
    • sodium (6R,7R)-7-[[(E)-2-(2-amino-1,3-thiazol-4-yl)pent-2-enoyl]amino] -3-(carbamoyloxymethyl)-8-oxo
    • 152824-70-9
    • Inchi： 1S/C17H19N5O6S2.Na/c1-2-3-8(9-6-30-16(18)20-9)12(23)21-10-13(24)22-11(15(25)26)7(4-28-17(19)27)5-29-14(10)22;/h3,6,10,14H,2,4-5H2,1H3,(H2,18,20)(H2,19,27)(H,21,23)(H,25,26);/q;+1/p-1/b8-3+;/t10-,14-;/m1./s1
    • InChI Key： OSURDKALGQIVGL-FZRBRWQESA-M
    • SMILES： S1CC(COC(N)=O)=C(C(=O)[O-])N2C([C@H]([C@@H]12)NC(/C(/C1=CSC(N)=N1)=C/CC)=O)=O.[Na+]

Computed Properties

  • Exact Mass: 475.06000
  • Monoisotopic Mass: 475.059619
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 8
  • Heavy Atom Count: 31
  • Rotatable Bond Count: 8
  • Complexity: 838
  • Covalently-Bonded Unit Count: 2
  • Defined Atom Stereocenter Count: 2
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 1
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 234

Experimental Properties

  • Boiling Point: 936°Cat760mmHg
  • Flash Point: 519.9°C
  • PSA: 234.31000
  • LogP: 0.62820

5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylicacid,3-[[(aminocarbonyl)oxy]methyl]-7-[[(2Z)-2-(2-amino-4-thiazolyl)-1-oxo-2-penten-1-yl]amino]-8-oxo-,sodium salt (1:1), (6R,7R)- Related Literature

152824-70-9 (5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylicacid,3-[[(aminocarbonyl)oxy]methyl]-7-[[(2Z)-2-(2-amino-4-thiazolyl)-1-oxo-2-penten-1-yl]amino]-8-oxo-,sodium salt (1:1), (6R,7R)-) Related Products

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