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Substance Name: Benzimidazole, 1-(2-(diethylamino)ethyl)-2-((p-propylphenyl)thio)-, dipicrate
RN: 4922-03-6
InChIKey: FXTPLSFLZSBMBX-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H29-N3-S.2C6-H3-N3-O7

Molecular Weight

  • 825.766
 
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Names and Synonyms

Synonym

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

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 4922-03-6

System Generated Number

  • 0004922036

Molecular Formulas

Molecular Formula

  • C22-H29-N3-S.2C6-H3-N3-O7

Molecular Formula Fragments

  • C22-H29-N3-S
  • C6-H3-N3-O7
  • COMPONENT

Structure Descriptors

InChI

1S/C22H29N3S.2C6H3N3O7/c1-4-9-18-12-14-19(15-13-18)26-22-23-20-10-7-8-11-21(20)25(22)17-16-24(5-2)6-3;2*10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h7-8,10-15H,4-6,9,16-17H2,1-3H3;2*1-2,10H

InChIKey

FXTPLSFLZSBMBX-UHFFFAOYSA-N

Smiles

n1(c([n+]c2c1cccc2)Sc1ccc(CCC)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 215mg/kg (215mg/kg) BEHAVIORAL: ANALGESIA Yakugaku Zasshi. Journal of Pharmacy. Vol. 85, Pg. 962, 1965.