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Substance Name: Pyridinium, 1-((7-(((2-amino-4-thiazolyl)(methoxyimino)acetyl)amino)-2-carboxy-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-en-3-yl)methyl)-4-(2-oxazolyl)-, hydroxide, inner salt, (6R-(6-alpha,7-beta(Z)))-, dihydrate
RN: 102253-69-0
InChIKey: ZBTBCLKLNSRBOC-GLBPZDSOSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H19-N7-O6-S2.2H2-O

Molecular Weight

  • 577.5967
 
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Names and Synonyms

  • Pyridinium, 1-((7-(((2-amino-4-thiazolyl)(methoxyimino)acetyl)amino)-2-carboxy-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-en-3-yl)methyl)-4-(2-oxazolyl)-, hydroxide, inner salt, (6R-(6-alpha,7-beta(Z)))-, dihydrate

Registry Numbers

CAS Registry Number

  • 102253-69-0

System Generated Number

  • 0102253690

Molecular Formulas

Molecular Formula

  • C22-H19-N7-O6-S2.2H2-O

Molecular Formula Fragments

  • C22-H19-N7-O6-S2
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C22H19N7O6S2.2H2O/c1-34-27-14(13-10-37-22(23)25-13)17(30)26-15-19(31)29-16(21(32)33)12(9-36-20(15)29)8-28-5-2-11(3-6-28)18-24-4-7-35-18;;/h2-7,10,15,20H,8-9H2,1H3,(H3-,23,25,26,30,32,33);2*1H2/b27-14+;;/t15-,20-;;/m0../s1

InChIKey

ZBTBCLKLNSRBOC-GLBPZDSOSA-N

Smiles

CO/N=C(\c1csc(n1)N)/C(=O)N[C@@H]2[C@H]3N(C2=O)C(=C(CS3)C[n+]4ccc(cc4)c5ncco5)C(=O)[O-].O.O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous > 4gm/kg (4000mg/kg)   Journal of Antibiotics. Vol. 40, Pg. 43, 1987.