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Substance Name: 1H-Benzimidazole, 1-(2-ethoxyethyl)-2-((4-propyl-1-piperazinyl)methyl)-, (E)-2-butenedioate (2:3)
RN: 95894-05-6
InChIKey: KQVXEWZDYSWOKR-VQYXCCSOSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C38-H60-N8-O2.3C4-H4-O4

Molecular Weight

  • 1009.1608
 
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Names and Synonyms

Synonym

  • 1-(2-Ethoxyethyl)-2-(4-propyl-1-piperazinyl)methylbenzimidazole fumarate (2:3)

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 95894-05-6

System Generated Number

  • 0095894056

Molecular Formulas

Molecular Formula

  • C38-H60-N8-O2.3C4-H4-O4

Molecular Formula Fragments

  • C38-H60-N8-O2
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/2C19H30N4O.3C4H4O4/c2*1-3-9-21-10-12-22(13-11-21)16-19-20-17-7-5-6-8-18(17)23(19)14-15-24-4-2;3*5-3(6)1-2-4(7)8/h2*5-8H,3-4,9-16H2,1-2H3;3*1-2H,(H,5,6)(H,7,8)/b;;3*2-1+

InChIKey

KQVXEWZDYSWOKR-VQYXCCSOSA-N

Smiles

C(=O)(/C=C/C(=O)O)O.c1(nc2c(n1CCOCC)cccc2)CN1CCN(CC1)CCC.C(=O)(/C=C/C(=O)O)O.C(=O)(/C=C/C(=O)O)O.c1(nc2c(n1CCOCC)cccc2)CN1CCN(CC1)CCC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 303mg/kg (303mg/kg)   United States Patent Document. Vol. #4603130,