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Substance Name: Benzimidazole, 2-(p-butylphenylthio)-1-(2-(diethylamino)ethyl)-, dipicrate
ID: DD63849500
InChIKey: LMXOPPYNYPNUBB-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C23-H31-N3-S.2C6-H3-N3-O7

Molecular Weight

  • 839.7923
 
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Names and Synonyms

Synonym

  • 2-(p-Butylphenylthio)-1-(2-(diethylamino)ethyl)benzimidazole dipicrate

Systematic Name

  • Benzimidazole, 2-(p-butylphenylthio)-1-(2-(diethylamino)ethyl)-, dipicrate

Registry Numbers

ID Number

  • NIOSH/DD6384950

System Generated Number

  • DD63849500

Molecular Formulas

Molecular Formula

  • C23-H31-N3-S.2C6-H3-N3-O7

Molecular Formula Fragments

  • C23-H31-N3-S
  • C6-H3-N3-O7
  • COMPONENT

Structure Descriptors

InChI

1S/C23H31N3S.2C6H3N3O7/c1-4-7-10-19-13-15-20(16-14-19)27-23-24-21-11-8-9-12-22(21)26(23)18-17-25(5-2)6-3;2*10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h8-9,11-16H,4-7,10,17-18H2,1-3H3;2*1-2,10H

InChIKey

LMXOPPYNYPNUBB-UHFFFAOYSA-N

Smiles

CCCCc1ccc(Sc2nc3ccccc3n2CCN(CC)CC)cc1.Oc4c(cc(cc4[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-].Oc5c(cc(cc5[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]