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Substance Name: Benzimidazole, 1-(2-(diethylamino)ethyl)-2-(methylthio)-, dipicrate
ID: DD80890000
InChIKey: CQBNTDHIIFFWAW-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C14-H21-N3-S.2C6-H3-N3-O7

Molecular Weight

  • 721.6143
 
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Names and Synonyms

Synonym

  • 1-(2-(Diethylamino)ethyl)-2-(methylthio)benzimidazole dipicrate

Systematic Name

  • Benzimidazole, 1-(2-(diethylamino)ethyl)-2-(methylthio)-, dipicrate

Registry Numbers

ID Number

  • NIOSH/DD8089000

System Generated Number

  • DD80890000

Molecular Formulas

Molecular Formula

  • C14-H21-N3-S.2C6-H3-N3-O7

Molecular Formula Fragments

  • C14-H21-N3-S
  • C6-H3-N3-O7
  • COMPONENT

Structure Descriptors

InChI

1S/C14H21N3S.2C6H3N3O7/c1-4-16(5-2)10-11-17-13-9-7-6-8-12(13)15-14(17)18-3;2*10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h6-9H,4-5,10-11H2,1-3H3;2*1-2,10H

InChIKey

CQBNTDHIIFFWAW-UHFFFAOYSA-N

Smiles

CCN(CC)CCn1c(SC)nc2ccccc12.Oc3c(cc(cc3[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-].Oc4c(cc(cc4[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]