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Substance Name: Pyridinium, 2-((cyclopentyldithio)methyl)-4-methoxy-3-methyl-1-(1,5,6,7-tetrahydro-5,5,7,7-tetramethyl-6-oxoindeno(5,6-d)imidazol-2-yl)-, chloride
RN: 124473-30-9
InChIKey: CEMOLVHEGJKRQG-UHFFFAOYSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C27-H34-N3-O2-S2.Cl

Molecular Weight

  • 532.1696
 
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Names and Synonyms

  • Pyridinium, 2-((cyclopentyldithio)methyl)-4-methoxy-3-methyl-1-(1,5,6,7-tetrahydro-5,5,7,7-tetramethyl-6-oxoindeno(5,6-d)imidazol-2-yl)-, chloride

Registry Numbers

CAS Registry Number

  • 124473-30-9

System Generated Number

  • 0124473309

Molecular Formulas

Molecular Formula

  • C27-H34-N3-O2-S2.Cl

Molecular Formula Fragments

  • C27-H34-N3-O2-S2
  • Cl
  • COMPONENT

Structure Descriptors

InChI

1S/C27H34N3O2S2.ClH/c1-16-22(15-33-34-17-9-7-8-10-17)30(12-11-23(16)32-6)25-28-20-13-18-19(14-21(20)29-25)27(4,5)24(31)26(18,2)3;/h11-14,17H,7-10,15H2,1-6H3,(H,28,29);1H/q+1;/p-1

InChIKey

CEMOLVHEGJKRQG-UHFFFAOYSA-M

Smiles

Cc1c(cc[n+](c1CSSC2CCCC2)c3[nH]c4cc5c(cc4n3)C(C(=O)C5(C)C)(C)C)OC.[Cl-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 312mg/kg (312mg/kg)   United States Patent Document. Vol. #4766133,