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Substance Name: 1H-Indole, 3-(2-(4,5-dihydro-1H-imidazol-2-yl)ethyl)-5-methoxy-2-methyl-, mono(4-methylbenzenesulfonate)
RN: 57000-38-1
InChIKey: NFDYGBRZQRFULD-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C15-H19-N3-O.C7-H7-O3-S

Molecular Weight

  • 429.5383
 
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Names and Synonyms

Synonym

  • 2-Methyl-3-(imidazoline-2'-ethyl)-5-methoxyindole p-toluenesulphonate

Systematic Name

  • 1H-Indole, 3-(2-(4,5-dihydro-1H-imidazol-2-yl)ethyl)-5-methoxy-2-methyl-, mono(4-methylbenzenesulfonate)

Registry Numbers

CAS Registry Number

  • 57000-38-1

System Generated Number

  • 0057000381

Molecular Formulas

Molecular Formula

  • C15-H19-N3-O.C7-H7-O3-S

Molecular Formula Fragments

  • C15-H19-N3-O
  • C7-H7-O3-S
  • COMPONENT

Structure Descriptors

InChI

1S/C15H19N3O.C7H8O3S/c1-10-12(4-6-15-16-7-8-17-15)13-9-11(19-2)3-5-14(13)18-10;1-6-2-4-7(5-3-6)11(8,9)10/h3,5,9,18H,4,6-8H2,1-2H3,(H,16,17);2-5H,1H3,(H,8,9,10)

InChIKey

NFDYGBRZQRFULD-UHFFFAOYSA-N

Smiles

Cc1ccc(cc1)S(=O)(=O)O.Cc1c(c2cc(ccc2[nH]1)OC)CCC3=NCCN3

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LDLo intraperitoneal 200mg/kg (200mg/kg)   Acta Poloniae Pharmaceutica. For English translation, see APPFAR. Vol. 34, Pg. 527, 1977.