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Substance Name: 1H-Benzimidazole, 1-(2-ethoxyethyl)-2-(1-piperazinyl)-, (E)-2-butenedioate (2:3)
RN: 87233-70-3
InChIKey: OKYQTHBQQPQXSN-VQYXCCSOSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C30-H44-N8-O2.3C4-H4-O4

Molecular Weight

  • 896.9464
 
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Names and Synonyms

Synonym

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

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 87233-70-3

System Generated Number

  • 0087233703

Molecular Formulas

Molecular Formula

  • C30-H44-N8-O2.3C4-H4-O4

Molecular Formula Fragments

  • C30-H44-N8-O2
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/2C15H22N4O.3C4H4O4/c2*1-2-20-12-11-19-14-6-4-3-5-13(14)17-15(19)18-9-7-16-8-10-18;3*5-3(6)1-2-4(7)8/h2*3-6,16H,2,7-12H2,1H3;3*1-2H,(H,5,6)(H,7,8)/b;;3*2-1+

InChIKey

OKYQTHBQQPQXSN-VQYXCCSOSA-N

Smiles

CCOCCn1c(nc2c1cccc2)N3CCNCC3.CCOCCn1c(nc2c1cccc2)N3CCNCC3.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 2217mg/kg (2217mg/kg)   United States Patent Document. Vol. #4430343,