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Substance Name: 1-Piperazineethanol, 4-((1-(2-ethoxyethyl)-1H-benzimidazol-2-yl)methyl)-, (E)-2-butenedioate (2:3) (salt)
RN: 95894-07-8
InChIKey: GJOJPVFXOJJCNX-VQYXCCSOSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C36-H56-N8-O4.3C4-H4-O4

Molecular Weight

  • 1013.1052
 
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Names and Synonyms

Synonym

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

Systematic Name

  • 1-Piperazineethanol, 4-((1-(2-ethoxyethyl)-1H-benzimidazol-2-yl)methyl)-, (E)-2-butenedioate (2:3) (salt)

Registry Numbers

CAS Registry Number

  • 95894-07-8

System Generated Number

  • 0095894078

Molecular Formulas

Molecular Formula

  • C36-H56-N8-O4.3C4-H4-O4

Molecular Formula Fragments

  • C36-H56-N8-O4
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/2C18H28N4O2.3C4H4O4/c2*1-2-24-14-12-22-17-6-4-3-5-16(17)19-18(22)15-21-9-7-20(8-10-21)11-13-23;3*5-3(6)1-2-4(7)8/h2*3-6,23H,2,7-15H2,1H3;3*1-2H,(H,5,6)(H,7,8)/b;;3*2-1+

InChIKey

GJOJPVFXOJJCNX-VQYXCCSOSA-N

Smiles

C(=O)(/C=C/C(=O)O)O.N1(CCN(CC1)Cc1nc2c(n1CCOCC)cccc2)CCO.C(=O)(/C=C/C(=O)O)O.C(=O)(/C=C/C(=O)O)O.N1(CCN(CC1)Cc1nc2c(n1CCOCC)cccc2)CCO

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral > 2gm/kg (2000mg/kg)   United States Patent Document. Vol. #4603130,