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Substance Name: 4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 6-(((4-chloro-3-methylphenoxy)acetyl)amino)-3,3-dimethyl-7-oxo-, monopotassium salt, (2S-(2-alpha,5-alpha,6-beta))-
RN: 15545-42-3
InChIKey: CSQGPNIALAXHMJ-ZCGPAKHCSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C17-H17-Cl-N2-O5-S.K

Molecular Weight

  • 436.9552
 
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Names and Synonyms

  • 4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 6-(((4-chloro-3-methylphenoxy)acetyl)amino)-3,3-dimethyl-7-oxo-, monopotassium salt, (2S-(2-alpha,5-alpha,6-beta))-

Registry Numbers

CAS Registry Number

  • 15545-42-3

System Generated Number

  • 0015545423

Molecular Formulas

Molecular Formula

  • C17-H17-Cl-N2-O5-S.K

Molecular Formula Fragments

  • C17-H17-Cl-N2-O5-S
  • COMPONENT
  • K

Structure Descriptors

InChI

1S/C17H19ClN2O5S.K/c1-8-6-9(4-5-10(8)18)25-7-11(21)19-12-14(22)20-13(16(23)24)17(2,3)26-15(12)20;/h4-6,12-13,15H,7H2,1-3H3,(H,19,21)(H,23,24);/q;+1/p-1/t12-,13+,15-;/m1./s1

InChIKey

CSQGPNIALAXHMJ-ZCGPAKHCSA-M

Smiles

Cc1cc(ccc1Cl)OCC(=O)N[C@H]2[C@@H]3N(C2=O)[C@H](C(S3)(C)C)C(=O)[O-].[K+]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 intramuscular 1187mg/kg (1187mg/kg)   Polish Journal of Pharmacology and Pharmacy. Vol. 29, Pg. 39, 1977.
rat LD50 oral 4gm/kg (4000mg/kg)   Polish Journal of Pharmacology and Pharmacy. Vol. 29, Pg. 39, 1977.