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Substance Name: Benzimidazole, 1-(2-(diethylamino)ethyl)-2-((p-isobutylphenyl)thio)-, dipicrate
RN: 5524-97-0
InChIKey: XRNNJJPJEASNQS-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C23-H31-N3-S.2C6-H3-N3-O7

Molecular Weight

  • 839.792
 
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Names and Synonyms

Synonym

  • 1-(2-(Diethylamino)ethyl)-2-((p-isobutylphenyl)thio)benzimidazole dipicrate

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 5524-97-0

System Generated Number

  • 0005524970

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/c1-5-25(6-2)15-16-26-22-10-8-7-9-21(22)24-23(26)27-20-13-11-19(12-14-20)17-18(3)4;2*10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h7-14,18H,5-6,15-17H2,1-4H3;2*1-2,10H

InChIKey

XRNNJJPJEASNQS-UHFFFAOYSA-N

Smiles

n1(c2c(cccc2)[n+]c1Sc1ccc(CC(C)C)cc1)CC[NH+](CC)CC.c1(c(c(cc(c1)[N+](=O)[O-])[N+](=O)[O-])[O-])[N+](=O)[O-].c1(c(c(cc(c1)[N+](=O)[O-])[N+](=O)[O-])[O-])[N+](=O)[O-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 445mg/kg (445mg/kg) BEHAVIORAL: ANALGESIA Yakugaku Zasshi. Journal of Pharmacy. Vol. 85, Pg. 962, 1965.