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Substance Name: Benzimidazole, 1-(2-(diethylamino)ethyl)-2-(isopropylthio)-, monopicrate
ID: DD80770000
InChIKey: JPKMAZCDZVSQBY-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H25-N3-S.C6-H3-N3-O7

Molecular Weight

  • 520.5642
 
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Names and Synonyms

Synonym

  • 1-(2-(Diethylamino)ethyl)-2-(isopropylthio)benzimidazole monopicrate

Systematic Name

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

Registry Numbers

ID Number

  • NIOSH/DD8077000

System Generated Number

  • DD80770000

Molecular Formulas

Molecular Formula

  • C16-H25-N3-S.C6-H3-N3-O7

Molecular Formula Fragments

  • C16-H25-N3-S
  • C6-H3-N3-O7
  • COMPONENT

Structure Descriptors

InChI

1S/C16H25N3S.C6H3N3O7/c1-5-18(6-2)11-12-19-15-10-8-7-9-14(15)17-16(19)20-13(3)4;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h7-10,13H,5-6,11-12H2,1-4H3;1-2,10H

InChIKey

JPKMAZCDZVSQBY-UHFFFAOYSA-N

Smiles

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