Cas no 90712-47-3 (5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylicacid, 7-[[(2-amino-4-thiazolyl)(methoxyimino)acetyl]amino]-3-methyl-8-oxo-,[[2-[(aminoacetyl)amino]benzoyl]oxy]methyl ester, dihydrochloride, [6R-[6a,7b(Z)]]- (9CI))

5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylicacid, 7-[[(2-amino-4-thiazolyl)(methoxyimino)acetyl]amino]-3-methyl-8-oxo-,[[2-[(aminoacetyl)amino]benzoyl]oxy]methyl ester, dihydrochloride, [6R-[6a,7b(Z)]]- (9CI) structure
90712-47-3 structure
Product Name:5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylicacid, 7-[[(2-amino-4-thiazolyl)(methoxyimino)acetyl]amino]-3-methyl-8-oxo-,[[2-[(aminoacetyl)amino]benzoyl]oxy]methyl ester, dihydrochloride, [6R-[6a,7b(Z)]]- (9CI)
CAS No:90712-47-3
MF:C14H15N5O5S2
MW:397.429399728775
CID:809383
PubChem ID:5486821
Update Time:2025-04-19

5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylicacid, 7-[[(2-amino-4-thiazolyl)(methoxyimino)acetyl]amino]-3-methyl-8-oxo-,[[2-[(aminoacetyl)amino]benzoyl]oxy]methyl ester, dihydrochloride, [6R-[6a,7b(Z)]]- (9CI) Chemical and Physical Properties

Names and Identifiers

    • 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylicacid, 7-[[(2-amino-4-thiazolyl)(methoxyimino)acetyl]amino]-3-methyl-8-oxo-,[[2-[(aminoacetyl)amino]benzoyl]oxy]methyl ester, dihydrochloride, [6R-[6a,7b(Z)]]- (9CI)
    • (6R,7R)-7-[[(2E)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
    • 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylicacid, 7-[[(2-amino-4-thiazolyl)(methoxyimino)acetyl]amino]-3-methyl-8-oxo-,[[2-[(aminoacetyl)amino]benzoyl]oxy]methyl ester, dihydrochloride, [6R-[6a,7b
    • 7beta-(2-(2-aminothiazol-4-yl)-2-methoxyiminoacetamido)-3-methyl-3-cephem-4-carboxylic acid glycylaminobenzoyloxymethyl ester
    • 5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7-(((2-amino-4-thiazolyl)(methoxyimino)acetyl)amino)-3-methyl-8-oxo-, (6R-(6alpha,7beta(Z)))-
    • Ammcgab methyl ester
    • MLS006010759
    • NS00001481
    • Q1083757
    • SMR004701451
    • AKOS025311434
    • 90712-47-3
    • SCHEMBL151099
    • cefetamet
    • GTPL12416
    • Inchi： 1S/C14H15N5O5S2/c1-5-3-25-12-8(11(21)19(12)9(5)13(22)23)17-10(20)7(18-24-2)6-4-26-14(15)16-6/h4,8,12H,3H2,1-2H3,(H2,15,16)(H,17,20)(H,22,23)/b18-7+/t8-,12-/m1/s1
    • InChI Key： MQLRYUCJDNBWMV-RWFJUVPESA-N
    • SMILES： S1CC(C)=C(C(=O)O)N2C([C@H]([C@@H]12)NC(/C(/C1=CSC(N)=N1)=N/OC)=O)=O

Computed Properties

  • Exact Mass: 397.05146
  • Monoisotopic Mass: 397.05146
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 10
  • Heavy Atom Count: 26
  • Rotatable Bond Count: 5
  • Complexity: 712
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 2
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 1
  • Undefined Bond Stereocenter Count: 0
  • Surface Charge: 0
  • Tautomer Count: 14
  • XLogP3: nothing
  • Topological Polar Surface Area: 201

Experimental Properties

  • Density: 1.83
  • Boiling Point: °Cat760mmHg
  • Flash Point: °C
  • Refractive Index: 1.82

5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylicacid, 7-[[(2-amino-4-thiazolyl)(methoxyimino)acetyl]amino]-3-methyl-8-oxo-,[[2-[(aminoacetyl)amino]benzoyl]oxy]methyl ester, dihydrochloride, [6R-[6a,7b(Z)]]- (9CI) Related Literature

90712-47-3 (5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylicacid, 7-[[(2-amino-4-thiazolyl)(methoxyimino)acetyl]amino]-3-methyl-8-oxo-,[[2-[(aminoacetyl)amino]benzoyl]oxy]methyl ester, dihydrochloride, [6R-[6a,7b(Z)]]- (9CI)) Related Products

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