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Substance Name: Benzimidazole, 1-(2-(diethylamino)ethyl)-2-((2-piperidinoethyl)thio)-, tripicrate
ID: DD81730000
InChIKey: QBUTYNJBIQSWMS-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H32-N4-S.3C6-H3-N3-O7

Molecular Weight

  • 1047.8779
 
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Names and Synonyms

Synonym

  • 1-(2-(Diethylamino)ethyl)-2-((2-piperidinoethyl)thio)benzimidazole tripicrate

Systematic Name

  • Benzimidazole, 1-(2-(diethylamino)ethyl)-2-((2-piperidinoethyl)thio)-, tripicrate

Registry Numbers

ID Number

  • NIOSH/DD8173000

System Generated Number

  • DD81730000

Molecular Formulas

Molecular Formula

  • C20-H32-N4-S.3C6-H3-N3-O7

Molecular Formula Fragments

  • C20-H32-N4-S
  • C6-H3-N3-O7
  • COMPONENT

Structure Descriptors

InChI

1S/C20H32N4S.3C6H3N3O7/c1-3-22(4-2)14-15-24-19-11-7-6-10-18(19)21-20(24)25-17-16-23-12-8-5-9-13-23;3*10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h6-7,10-11H,3-5,8-9,12-17H2,1-2H3;3*1-2,10H

InChIKey

QBUTYNJBIQSWMS-UHFFFAOYSA-N

Smiles

CCN(CC)CCn1c(SCCN2CCCCC2)nc3ccccc13.Oc4c(cc(cc4[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-].Oc5c(cc(cc5[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-].Oc6c(cc(cc6[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]