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Substance Name: Benzimidazole, 2-(benzylthio)-1-(2-(diethylamino)ethyl)-, monopicrate
ID: DD62470000
InChIKey: GBHSDRYNKDEGEI-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H25-N3-S.C6-H3-N3-O7

Molecular Weight

  • 568.6082
 
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Names and Synonyms

Synonym

  • 2-(Benzylthio)-1-(2-(diethylamino)ethyl)benzimidazole monopicrate

Systematic Name

  • Benzimidazole, 2-(benzylthio)-1-(2-(diethylamino)ethyl)-, monopicrate

Registry Numbers

ID Number

  • NIOSH/DD6247000

System Generated Number

  • DD62470000

Molecular Formulas

Molecular Formula

  • C20-H25-N3-S.C6-H3-N3-O7

Molecular Formula Fragments

  • C20-H25-N3-S
  • C6-H3-N3-O7
  • COMPONENT

Structure Descriptors

InChI

1S/C20H25N3S.C6H3N3O7/c1-3-22(4-2)14-15-23-19-13-9-8-12-18(19)21-20(23)24-16-17-10-6-5-7-11-17;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h5-13H,3-4,14-16H2,1-2H3;1-2,10H

InChIKey

GBHSDRYNKDEGEI-UHFFFAOYSA-N

Smiles

CCN(CC)CCn1c(SCc2ccccc2)nc3ccccc13.Oc4c(cc(cc4[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]