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Substance Name: 5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 3-((acetyloxy)methyl)-7-(((1-(3-chlorophenyl)cyclopentyl)carbonyl)amino)-8-oxo-, monosodium salt, (6R-trans)-
RN: 143407-76-5
InChIKey: IHHQIWWPTVQPNM-LJLRIERRSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H22-Cl-N2-O6-S.Na

Molecular Weight

  • 500.9328
 
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Names and Synonyms

  • 5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 3-((acetyloxy)methyl)-7-(((1-(3-chlorophenyl)cyclopentyl)carbonyl)amino)-8-oxo-, monosodium salt, (6R-trans)-

Registry Numbers

CAS Registry Number

  • 143407-76-5

System Generated Number

  • 0143407765

Molecular Formulas

Molecular Formula

  • C22-H22-Cl-N2-O6-S.Na

Molecular Formula Fragments

  • C22-H22-Cl-N2-O6-S
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C22H23ClN2O6S.Na/c1-12(26)31-10-13-11-32-19-16(18(27)25(19)17(13)20(28)29)24-21(30)22(7-2-3-8-22)14-5-4-6-15(23)9-14;/h4-6,9,16,19H,2-3,7-8,10-11H2,1H3,(H,24,30)(H,28,29);/q;+1/p-1/t16-,19-;/m1./s1

InChIKey

IHHQIWWPTVQPNM-LJLRIERRSA-M

Smiles

CC(=O)OCC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)C3(CCCC3)c4cccc(c4)Cl)SC1)C(=O)[O-].[Na+]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD intravenous > 1500mg/kg (1500mg/kg)   Pharmaceutical Chemistry Journal Vol. 26, Pg. 169, 1992.