Cas no 60846-21-1 (cefotaxime)

cefotaxime structure
cefotaxime structure
Product Name:cefotaxime
CAS No:60846-21-1
MF:C16H17N5O7S2
MW:455.465480566025
CID:2674460
PubChem ID:5742673
Update Time:2025-04-21

cefotaxime Chemical and Physical Properties

Names and Identifiers

    • cefotaxime
    • (6R,7R)-3-(Acetoxymethyl)-8-oxo-7-[(2-amino-4-thiazolyl)(methoxyimino)acetylamino]-5-thia-1-azabicyclo[4.2.0]octa-2-ene-2-carboxylic acid
    • (6R)-3-acetoxymethyl-7t-[2-(2-amino-thiazol-4-yl)-2-(E)-methoxyimino-acetylamino]-8-oxo-(6rH)-5-thia-1-aza-bicyclo[4.2.0]oct-2-ene-2-carboxylic acid
    • 7β-[2-(2-amino-thiazol-4-yl)-2-(E)-methoxyimino-acetylamino]-cephalosporanic acid
    • calforan
    • cefotaxim
    • Cefotaxine
    • claforan
    • N2GI8B1GK7
    • (6R,7R)-3-[(acetyloxy)methyl]-7-[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetamido]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
    • Cefotaxim Hikma
    • Cefotaxime (INN)
    • (6R,7R)-3-(acetoxymethyl)-7-[[(2Z)-2-(2-aminothiazol-4-yl)-2-methoxyimino-acetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
    • DTXSID501100149
    • (6R,7R)-3-(acetyloxymethyl)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
    • MFCD00864971
    • (E)-Cefotaxime
    • DA-51752
    • 63527-52-6
    • Cefotaximum
    • AKOS015951267
    • (6R,7R)-3-(acetyloxymethyl)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyimino-ethanoyl]amino]-8-oxo-5-thia-1-azabicy clo[4.2.0]oct-2-ene-2-carboxylic acid
    • EN300-21702510
    • 4kot
    • Prestwick2_000139
    • BRD-K78364995-236-17-5
    • (6R,7R,Z)-3-(acetoxymethyl)-7-(2-(2-aminothiazol-4-yl)-2-(methoxyimino)acetamido)-8-oxo-5-thia-1-aza-bicyclo[4.2.0]oct-2-ene-2-carboxylic acid
    • DTXSID6022761
    • (6R,7R)-3-[(Acetyloxy)methyl]-7-[[(2E)-2-(2-amino-4-thiazolyl)-2-(methoxyimino)acetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
    • Cephotaxime
    • AS-12690
    • 60846-21-1
    • 264-299-1
    • (6R,7R,Z)-3-(acetoxymethyl)-7-(2-(2-aminothiazol-4-yl)-2-(methoxyimino)acetamido)-8-oxo-5-thia-1-aza-bicyclo(4.2.0)oct-2-ene-2-carboxylic acid
    • Q27262497
    • DTXCID501476108
    • Cephotaxim
    • Cefotaxima [INN-Spanish]
    • (6R,7R)-3-Acetoxymethyl-7-(2-(2-amino-thiazol-4-yl)-2-((Z)-methoxyimino)-acetylamino)-8-oxo-5-thia-1-aza-bicyclo(4.2.0)oct-2-ene-2-carboxylic acid
    • HY-A0088A
    • CEFOTAXIME [VANDF]
    • s4720
    • CHEMBL1730
    • CEFOTAXIME [WHO-DD]
    • Claforan (*Sodium salt*)
    • C06885
    • DB00493
    • HMS2090M11
    • CEFOTAXIME [INN]
    • Lopac0_000278
    • CEFOTAXIME [MI]
    • 3-(acetoxymethyl)-7beta-(((2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl)amino)-3,4-didehydrocepham-4-carboxylic acid
    • BDBM50482777
    • CS-0013515
    • (6R,7R,Z)-3-(ACETOXYMETHYL)-7-(2-(2-AMINOTHIAZOL-4-YL)-2-(METHOXYIMINO)ACETAMIDO)-8-OXO-5-THIA-1-AZABICYCLO(4.2.0)OCT-2-ENE-2-CARBOXYLIC ACID
    • (6R,7R)-3-(acetoxymethyl)-7-(((2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl)amino)-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid
    • Cefotaxime [INN:BAN]
    • E-cefotaxime
    • RU 24662
    • (6R,7R)-3-(acetoxymethyl)-7-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
    • (6R,7R)-3-[(acetyloxy)methyl]-7-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
    • BRD-K78364995-236-16-7
    • SCHEMBL3731931
    • J01DA10
    • (6R,7R)-3-(acetyloxymethyl)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyimino-ethanoyl]amino]-8-oxo-5-thia-1-azabicy
    • CEFOTAXIME [JAN]
    • 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 3-[(acetyloxy)methyl]-7-[[(2E)-2-(2-amino-4-thiazolyl)-2-(methoxyimino)acetyl]amino]-8-oxo-, (6R,7R)-; 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 3-[(acetyloxy)methyl]-7-[[(2-amino-4-thiaz
    • 5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 3-((acetyloxy)methyl)-7-(((2Z)-(2-amino-4-thiazolyl)(methoxyimino)acetyl)amino)-8-oxo-, (6R,7R)-
    • 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 3-[(acetyloxy)methyl]-7-[[(2Z)-(2-amino-4-thiazolyl)(methoxyimino)acetyl]amino]-8-oxo-, (6R,7R)-
    • Cefotaxima
    • 3-(Acetyloxymethyl)-7-(((2E)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyimino-acetyl)amino)-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid
    • (6R,7R)-3-Acetoxymethyl-7-{2-(2-amino-thiazol-4-yl)-2-[(Z)-methoxyimino]-acetylamino}-8-oxo-5-thia-1-aza-bicyclo[4.2.0]oct-2-ene-2-carboxylic acid
    • CHEBI:204928
    • BRD-K78364995-236-03-5
    • Prestwick3_000139
    • 5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 3-((acetyloxy)methyl)-7-(((2-amino-4-thiazolyl)(methoxyimino)acetyl)amino)-8-oxo-, (6R-(6alpha,7beta(Z)))-
    • SDCCGSBI-0050266.P002
    • (6R,7R)-3-(Acetoxymethyl)-7-((2-(2-amino-4-thiazolyl)-2-methoxyiminoglyoxylamino)-8-oco-5-thia-1-azabicyclo(4.2.0)oct-2-en-2-carbonsaeure
    • Cefotaxima acid
    • Cefotaxima (INN-Spanish)
    • Cefotaximum [INN-Latin]
    • D07647
    • UNII-N2GI8B1GK7
    • MSK10011
    • Omnatax
    • BPBio1_000240
    • Cefotaxime acid
    • BSPBio_000218
    • EINECS 264-299-1
    • (6R,7R)-3-(Acetoxymethyl)-7-(()-2-(2-amino-4-thiazolyl)-2-methoxyiminoglyoxylamino)-8-oco-5-thia-1-azabicyclo(4.2.0)oct-2-en-2-carbonsaeure
    • Cefotaxim Hikma (TN)
    • Taxim
    • clo[4.2.0]oct-2-ene-2-carboxylic acid
    • Cefotaximum (INN-Latin)
    • AC-217
    • Inchi: 1S/C16H17N5O7S2/c1-6(22)28-3-7-4-29-14-10(13(24)21(14)11(7)15(25)26)19-12(23)9(20-27-2)8-5-30-16(17)18-8/h5,10,14H,3-4H2,1-2H3,(H2,17,18)(H,19,23)(H,25,26)/b20-9-/t10-,14-/m1/s1
    • InChI Key: GPRBEKHLDVQUJE-QSWIMTSFSA-N
    • SMILES: S1CC(COC(C)=O)=C(C(=O)O)N2C([C@H]([C@@H]12)NC(/C(/C1=CSC(N)=N1)=N\OC)=O)=O

Computed Properties

  • Exact Mass: 455.05700
  • Monoisotopic Mass: 455.05694025Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 12
  • Heavy Atom Count: 30
  • Rotatable Bond Count: 8
  • Complexity: 833
  • 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
  • XLogP3: -1.4
  • Topological Polar Surface Area: 227?2

Experimental Properties

  • PSA: 227.05000
  • LogP: 0.28750
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