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Molecule record

(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

C16H17N5O7S2

455.47 g/mol

Loading structure

Molecular properties

Formula
C16H17N5O7S2
Molar mass
455.47 g·mol−1
Exact mass
455.0569 Da
11
PubChem CID
5742673

Functional groups

Alkane / alkyl carbon
Alkene
Amide
Carboxylic acid
Ester
Ether
Primary amine
Secondary amine
Sulfide
Tertiary amine

Physical properties

No source-backed physical properties are curated for this molecule yet.

Common names and synonyms

  • 264-299-1
  • 60846-21-1
  • 63527-52-6
  • CHEBI:204928
  • Cefotaxim
  • Cefotaxim Hikma
  • Cefotaxima
  • Cefotaxime (INN)
Show all 24 synonyms
  • Cefotaxime acid
  • Cefotaximum
  • Cephotaxim
  • Cephotaxime
  • Claforan
  • DTXCID501476108
  • DTXSID6022761
  • J01DA10
  • Klaforan
  • MFCD00864971
  • N2GI8B1GK7
  • Omnatax
  • Primafen
  • RefChem:54734
  • Taxim
  • cefotaxime

Structure identifiers

Canonical SMILES
CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(COC(C)=O)CS[C@H]12)c1csc(N)n1
Isomeric SMILES
CC(=O)OCC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)/C(=N\OC)/C3=CSC(=N3)N)SC1)C(=O)O
InChI
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
InChIKey
GPRBEKHLDVQUJE-QSWIMTSFSA-N
PubChem CID
5742673

Spectroscopy

Tabs appear only for spectra stored with clear provenance.

Open library
No redistributable or simulated spectroscopy record is attached yet.

Simulated NMR

On-demand educational prediction for (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; not experimental data.

Simulated EI mass spectrum

On-demand educational fragmentation for (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; not experimental data.

Sources

Molecule identity

Retrieved 8/20/2026. Reuse status is summarized by the badge; open the source for full details.

PubChem(link only)
Open source record