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Substance Name: Acetic acid, ((1-(2-(diethylamino)ethyl)-2-benzimidazolyl)thio)-, ethyl ester, monopicrate
ID: AG94900000
InChIKey: LMXQZHDVHZQEGG-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C17-H25-N3-O2-S.C6-H3-N3-O7

Molecular Weight

  • 564.5732
 
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Names and Synonyms

Synonym

  • Ethyl ((1-(2-(diethylamino)ethyl)-2-benzimidazolyl)thio)acetate monopicrate

Systematic Name

  • Acetic acid, ((1-(2-(diethylamino)ethyl)-2-benzimidazolyl)thio)-, ethyl ester, monopicrate

Registry Numbers

ID Number

  • NIOSH/AG9490000

System Generated Number

  • AG94900000

Molecular Formulas

Molecular Formula

  • C17-H25-N3-O2-S.C6-H3-N3-O7

Molecular Formula Fragments

  • C17-H25-N3-O2-S
  • C6-H3-N3-O7
  • COMPONENT

Structure Descriptors

InChI

1S/C17H25N3O2S.C6H3N3O7/c1-4-19(5-2)11-12-20-15-10-8-7-9-14(15)18-17(20)23-13-16(21)22-6-3;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h7-10H,4-6,11-13H2,1-3H3;1-2,10H

InChIKey

LMXQZHDVHZQEGG-UHFFFAOYSA-N

Smiles

CCOC(=O)CSc1nc2ccccc2n1CCN(CC)CC.Oc3c(cc(cc3[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]