Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: 1H-Benzimidazole, 1-(2-ethoxyethyl)-2-(4-ethyl-1-piperazinyl)-, (E)-2-butenedioate (2:3)
RN: 87233-72-5
InChIKey: YMKNRBWVIXJCII-VQYXCCSOSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C34-H52-N8-O2.3C4-H4-O4

Molecular Weight

  • 953.0536
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Synonyms

  • 1-(2-Ethoxyethyl)-2-(4-ethyl-1-piperazinyl)-1H-benzimidazole (E)-2-butenedioate (2:3)
  • 1-(2-Ethoxyethyl)-2-(4-ethyl-1-piperazinyl)benzimidazole fumarate (2:3)

Systematic Name

  • 1H-Benzimidazole, 1-(2-ethoxyethyl)-2-(4-ethyl-1-piperazinyl)-, (E)-2-butenedioate (2:3)

Registry Numbers

CAS Registry Number

  • 87233-72-5

System Generated Number

  • 0087233725

Molecular Formulas

Molecular Formula

  • C34-H52-N8-O2.3C4-H4-O4

Molecular Formula Fragments

  • C34-H52-N8-O2
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/2C17H26N4O.3C4H4O4/c2*1-3-19-9-11-20(12-10-19)17-18-15-7-5-6-8-16(15)21(17)13-14-22-4-2;3*5-3(6)1-2-4(7)8/h2*5-8H,3-4,9-14H2,1-2H3;3*1-2H,(H,5,6)(H,7,8)/b;;3*2-1+

InChIKey

YMKNRBWVIXJCII-VQYXCCSOSA-N

Smiles

CCN1CCN(CC1)c2n(c3c(n2)cccc3)CCOCC.CCN1CCN(CC1)c2n(c3c(n2)cccc3)CCOCC.C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 2639mg/kg (2639mg/kg)   United States Patent Document. Vol. #4430343,