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Substance Name: Acetic acid, ((5-chloro-2-(((4,5-dihydro-1H-imidazol-2-yl)amino)sulfonyl)-4-methylphenyl)thio)-, compd. with 2,6-dimethylpiperidine (1:1)
RN: 107464-73-3
InChIKey: KXUCYRVNCWRMGX-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C12-H14-Cl-N3-O4-S2.C7-H15-N

Molecular Weight

  • 477.0471
 
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Names and Synonyms

  • Acetic acid, ((5-chloro-2-(((4,5-dihydro-1H-imidazol-2-yl)amino)sulfonyl)-4-methylphenyl)thio)-, compd. with 2,6-dimethylpiperidine (1:1)

Registry Numbers

CAS Registry Number

  • 107464-73-3

System Generated Number

  • 0107464733

Molecular Formulas

Molecular Formula

  • C12-H14-Cl-N3-O4-S2.C7-H15-N

Molecular Formula Fragments

  • C12-H14-Cl-N3-O4-S2
  • C7-H15-N
  • COMPONENT

Structure Descriptors

InChI

1S/C12H14ClN3O4S2.C7H15N/c1-7-4-10(9(5-8(7)13)21-6-11(17)18)22(19,20)16-12-14-2-3-15-12;1-6-4-3-5-7(2)8-6/h4-5H,2-3,6H2,1H3,(H,17,18)(H2,14,15,16);6-8H,3-5H2,1-2H3

InChIKey

KXUCYRVNCWRMGX-UHFFFAOYSA-N

Smiles

Cc1cc(c(cc1Cl)SCC(=O)O)S(=O)(=O)NC2=NCCN2.CC1CCCC(N1)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 340mg/kg (340mg/kg) VASCULAR: BP LOWERING NOT CHARACTERIZED IN AUTONOMIC SECTION Acta Poloniae Pharmaceutica. For English translation, see APPFAR. Vol. 42, Pg. 501, 1985.