Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Ceftobiprole medocaril [USAN:INN]
RN: 252188-71-9
UNII: N99027V28J
InChIKey: MFAWUGGPPMTWPU-LCJFHXTKSA-M

Note

  • A ceftobiprole prodrug.

Molecular Formula

  • C26-H26-N8-O11-S2.Na

Molecular Weight

  • 712.6505
 

Classification Codes

  • Anti-Bacterial Agents
  • Anti-Infective Agents
  • Broad Spectrum Antibiotic
* denotes mobile formatted website

Links to Resources


Search for this InChIKey on the Web

Names and Synonyms

Name of Substance

  • Ceftobiprole medocaril sodium
  • Ceftobiprole medocaril [USAN:INN]

Synonyms

  • (6R,7R)-7-(((2Z)-(5-Amino-1,2,4-thiadiazol-3-yl)(hydroxyimino)-acetyl)amino)-3-((E)-((3'R)-1'-(((5-methyl-2-oxo-1,3-dioxol-4-yl)methoxy)carbonyl)-2-oxo(1,3'-bipyrrolidin)-3-ylidene)methyl)-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid monosodium salt
  • BAL5788
  • BAL5788-001
  • Ceftobiprole medocaril
  • Ceftobiprole medocaril sodium
  • Ro 65-5788
  • UNII-N99027V28J

Systematic Name

  • 5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7-(((2Z)-(5-amino-1,2,4-thiadiazol-3-yl) (hydroxyimino)acetyl)amino)-3-((E)-((3'R)-1'-(((5-methyl-2-oxo-1,3-dioxol-4-yl)methoxy)carbonyl)-2-oxo(1,3'-bipyrrolidin)-3-ylidene)methyl)-8-oxo-, monosodium salt, (6R,7R)-

Registry Numbers

CAS Registry Number

  • 252188-71-9

FDA UNII

  • N99027V28J

Other Registry Numbers

  • 630115-64-9
  • 738616-09-6

System Generated Number

  • 0252188719

Molecular Formulas

Molecular Formula

  • C26-H26-N8-O11-S2.Na

Molecular Formula Fragments

  • C26-H26-N8-O11-S2
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C26H26N8O11S2.Na/c1-10-14(45-26(41)44-10)8-43-25(40)32-4-3-13(7-32)33-5-2-11(20(33)36)6-12-9-46-22-16(21(37)34(22)17(12)23(38)39)28-19(35)15(30-42)18-29-24(27)47-31-18;/h6,13,16,22,42H,2-5,7-9H2,1H3,(H,28,35)(H,38,39)(H2,27,29,31);/q;+1/p-1/b11-6+,30-15-;/t13-,16-,22-;/m1./s1

InChIKey

MFAWUGGPPMTWPU-LCJFHXTKSA-M

Smiles

[Na+].CC1=C(COC(=O)N2CC[C@H](C2)N3CC\C(=C/C4=C(N5[C@H](SC4)[C@H](NC(=O)\C(=N/O)\c6nsc(N)n6)C5=O)C(=O)[O-])\C3=O)OC(=O)O1