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Substance Name: Benzimidazole, 2-(allylthio)-1-(2-(diethylamino)ethyl)-, monopicrate
ID: DD57200000
InChIKey: KWEFFXXBCYOYIU-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H23-N3-S.C6-H3-N3-O7

Molecular Weight

  • 518.5484
 
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Names and Synonyms

Synonym

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

Systematic Name

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

Registry Numbers

ID Number

  • NIOSH/DD5720000

System Generated Number

  • DD57200000

Molecular Formulas

Molecular Formula

  • C16-H23-N3-S.C6-H3-N3-O7

Molecular Formula Fragments

  • C16-H23-N3-S
  • C6-H3-N3-O7
  • COMPONENT

Structure Descriptors

InChI

1S/C16H23N3S.C6H3N3O7/c1-4-13-20-16-17-14-9-7-8-10-15(14)19(16)12-11-18(5-2)6-3;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h4,7-10H,1,5-6,11-13H2,2-3H3;1-2,10H

InChIKey

KWEFFXXBCYOYIU-UHFFFAOYSA-N

Smiles

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