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Substance Name: Ketocillin sodium
RN: 196309-79-2
InChIKey: NZXCOWFCUGWKEB-FUTSFBNSSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C24-H23-N2-O5-S.Na

Molecular Weight

  • 474.5107
 
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Names and Synonyms

Results Name

  • Ketocillin sodium

Synonyms

  • alpha-Methyl-3-(benzoyl) benzyl penicillin sodium
  • Ketocillin sodium

Systematic Name

  • 4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 6-((2-(3-benzoylphenyl)-1-oxopropyl)amino)-3,3-dimethyl-7-oxo-, monosodium salt, (2S-(2-alpha,5-alpha,6-beta))-(partial)-

Registry Numbers

CAS Registry Number

  • 196309-79-2

System Generated Number

  • 0196309792

Molecular Formulas

Molecular Formula

  • C24-H23-N2-O5-S.Na

Molecular Formula Fragments

  • C24-H23-N2-O5-S
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C24H24N2O5S.Na/c1-13(15-10-7-11-16(12-15)18(27)14-8-5-4-6-9-14)20(28)25-17-21(29)26-19(23(30)31)24(2,3)32-22(17)26;/h4-13,17,19,22H,1-3H3,(H,25,28)(H,30,31);/q;+1/p-1/t13?,17-,19+,22-;/m1./s1

InChIKey

NZXCOWFCUGWKEB-FUTSFBNSSA-M

Smiles

[Na+].CC(C(=O)N[C@H]1[C@H]2SC(C)(C)[C@@H](N2C1=O)C(=O)[O-])c3cccc(c3)C(=O)c4ccccc4

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intramuscular 1441mg/kg (1441mg/kg)   Pharmaceutical Sciences. Vol. 3, Pg. 203, 1997.