Cas no 58233-18-4 (5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylicacid, 3-[(acetyloxy)methyl]-7-[[(2-amino-4-thiazolyl)acetyl]amino]-8-oxo-,(6R,7R)- (9CI))

5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylicacid, 3-[(acetyloxy)methyl]-7-[[(2-amino-4-thiazolyl)acetyl]amino]-8-oxo-,(6R,7R)- (9CI) structure
58233-18-4 structure
Product Name:5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylicacid, 3-[(acetyloxy)methyl]-7-[[(2-amino-4-thiazolyl)acetyl]amino]-8-oxo-,(6R,7R)- (9CI)
CAS No:58233-18-4
MF:C15H16N4O6S2
MW:412.440740585327
CID:371944
PubChem ID:93993
Update Time:2025-04-19

5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylicacid, 3-[(acetyloxy)methyl]-7-[[(2-amino-4-thiazolyl)acetyl]amino]-8-oxo-,(6R,7R)- (9CI) Chemical and Physical Properties

Names and Identifiers

    • 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylicacid, 3-[(acetyloxy)methyl]-7-[[(2-amino-4-thiazolyl)acetyl]amino]-8-oxo-,(6R,7R)- (9CI)
    • (6R,7R)-3-(acetyloxymethyl)-7-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
    • (6R-trans)-3-(Acetoxymethyl)-7-((2-aminothiazol-4-yl)acetamido)-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid
    • 3-[(acetyloxy)methyl]-7-{[(2-amino-1,3-thiazol-4-yl)acetyl]amino}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
    • RU 7-23345
    • SCHEMBL8192739
    • DTXSID70973792
    • 3-(acetyloxymethyl)-7-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
    • CID 93993
    • 3-[(Acetyloxy)methyl]-7-{[1-hydroxy-2-(2-imino-2,3-dihydro-1,3-thiazol-4-yl)ethylidene]amino}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
    • EINECS 261-175-9
    • 58233-18-4
    • Inchi： 1S/C15H16N4O6S2/c1-6(20)25-3-7-4-26-13-10(12(22)19(13)11(7)14(23)24)18-9(21)2-8-5-27-15(16)17-8/h5,10,13H,2-4H2,1H3,(H2,16,17)(H,18,21)(H,23,24)
    • InChI Key： CIFZTJFBDLIEOW-UHFFFAOYSA-N
    • SMILES： S1CC(COC(C)=O)=C(C(=O)O)N2C(C(C12)NC(CC1=CSC(N)=N1)=O)=O

Computed Properties

  • Exact Mass: 412.05128
  • Monoisotopic Mass: 412.05112659g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 10
  • Heavy Atom Count: 27
  • Rotatable Bond Count: 7
  • Complexity: 714
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 2
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: -1.2
  • Topological Polar Surface Area: 206?2

Experimental Properties

  • PSA: 151.92

5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylicacid, 3-[(acetyloxy)methyl]-7-[[(2-amino-4-thiazolyl)acetyl]amino]-8-oxo-,(6R,7R)- (9CI) Security Information

5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylicacid, 3-[(acetyloxy)methyl]-7-[[(2-amino-4-thiazolyl)acetyl]amino]-8-oxo-,(6R,7R)- (9CI) Related Literature

58233-18-4 (5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylicacid, 3-[(acetyloxy)methyl]-7-[[(2-amino-4-thiazolyl)acetyl]amino]-8-oxo-,(6R,7R)- (9CI)) Related Products

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