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Substance Name: Acetic acid, ((5-chloro-4-methyl-2-((2-oxo-1-imidazolidinyl)sulfonyl)phenyl)thio)-, compd. with 2,6-dimethylpiperidine (1:1)
RN: 114449-14-8
InChIKey: TTYKMGRKXDFIJW-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C12-H13-Cl-N2-O5-S2.C7-H15-N

Molecular Weight

  • 478.0312
 
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Names and Synonyms

  • Acetic acid, ((5-chloro-4-methyl-2-((2-oxo-1-imidazolidinyl)sulfonyl)phenyl)thio)-, compd. with 2,6-dimethylpiperidine (1:1)

Registry Numbers

CAS Registry Number

  • 114449-14-8

System Generated Number

  • 0114449148

Molecular Formulas

Molecular Formula

  • C12-H13-Cl-N2-O5-S2.C7-H15-N

Molecular Formula Fragments

  • C12-H13-Cl-N2-O5-S2
  • C7-H15-N
  • COMPONENT

Structure Descriptors

InChI

1S/C12H13ClN2O5S2.C7H15N/c1-7-4-10(9(5-8(7)13)21-6-11(16)17)22(19,20)15-3-2-14-12(15)18;1-6-4-3-5-7(2)8-6/h4-5H,2-3,6H2,1H3,(H,14,18)(H,16,17);6-8H,3-5H2,1-2H3

InChIKey

TTYKMGRKXDFIJW-UHFFFAOYSA-N

Smiles

Cc1cc(c(cc1Cl)SCC(=O)O)S(=O)(=O)N2CCNC2=O.CC1CCCC(N1)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 640mg/kg (640mg/kg)   Scientia Pharmaceutica. Vol. 55, Pg. 127, 1987.