Compound ID | 3602

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Ro 13-9904

Synonym(s): Ro 139904  |  Ro139904

Class: Beta-lactam (cephalosporin)

Spectrum of activity: Gram-negative
Details of activity: Active against beta-lactamase-producer and non-producer strains of Escherichia coli, Serratia marcescens, Enterobacter cloacae, Pseudomonas aeruginosa, Haemophilus influenzae, and Neisseria gonorrhoeae; cell wall synthesis inhibitor
Description: Synthetic compound; parenteral cephalosporin; (6R,7R)-7- {2-(2-amino-4-thiazolyl)-2-[(Z)-methoxyimino] acetamido)-3- {[(2,5-dihydro-6-hydroxy-2-methyl-5-oxo-as-triazin-3-yl)thio]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid disodium salt; shows superior efficacy to cefotaxime in treating septicaemia in mice
Institute where first reported: Pharmaceutical Research Department, F. Hoffmann-La Roche & Co., Ltd., Switzerland
Year first mentioned: 1980
Development status: Experimental
Chemical structure(s):
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Molecular weight: 598.55
Iso. SMILES: CN1C(=NC(=O)C(=N1)[O-])SCC2=C(N3[C@@H]([C@@H](C3=O)NC(=O)/C(=N\OC)/C4=CSC(=N4)N)SC2)C(=O)[O-].[Na+].[Na+]
InChI Key: FDRNWTJTHBSPMW-BBJOQENWSA-L
Can. SMILES: CN1C(=NC(=O)C(=N1)[O-])SCC2=C(C(=O)[O-])N3C(=O)[C@H]([C@H]3SC2)NC(=O)/C(=N\OC)/C4=CSC(=N4)N.[Na+].[Na+]
InChI: InChI=1S/C18H18N8O7S3.2Na/c1-25-18(22-12(28)13(29)23-25)36-4-6-3-34-15-9(14(30)26(15)10(6)16(31)32)21-11(27)8(24-33-2)7-5-35-17(19)20-7;;/h5,9,15H,3-4H2,1-2H3,(H2,19,20)(H,21,27)(H,23,29)(H,31,32);;/q;2*+1/p-2/b24-8-;;/t9-,15-;;/m1../s1
External links:
PubChem link: https://pubchem.ncbi.nlm.nih.gov/compound/9570985
Citations:
  • https://www.jstage.jst.go.jp/article/antibiotics1968/33/7/33_7_783/_article
  • https://journals.asm.org/doi/10.1128/aac.19.1.8

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