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Substance Name: 1H-Benzimidazole, 1-(2-ethoxyethyl)-2-(4-methyl-1-piperazinyl)-, (E)-2-butenedioate (2:3)
RN: 87233-66-7
InChIKey: OAEGDLLCNRTDSW-VQYXCCSOSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C32-H48-N8-O2.3C4-H4-O4

Molecular Weight

  • 925.0
 
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Names and Synonyms

Synonym

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

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 87233-66-7

System Generated Number

  • 0087233667

Molecular Formulas

Molecular Formula

  • C32-H48-N8-O2.3C4-H4-O4

Molecular Formula Fragments

  • C32-H48-N8-O2
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/2C16H24N4O.3C4H4O4/c2*1-3-21-13-12-20-15-7-5-4-6-14(15)17-16(20)19-10-8-18(2)9-11-19;3*5-3(6)1-2-4(7)8/h2*4-7H,3,8-13H2,1-2H3;3*1-2H,(H,5,6)(H,7,8)/b;;3*2-1+

InChIKey

OAEGDLLCNRTDSW-VQYXCCSOSA-N

Smiles

CCOCCn1c(nc2c1cccc2)N3CCN(CC3)C.CCOCCn1c(nc2c1cccc2)N3CCN(CC3)C.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 1493mg/kg (1493mg/kg)   United States Patent Document. Vol. #4430343,