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Substance Name: 1H-Benzimidazole, 2-(4-methyl-1-piperazinyl)-1-(2-(2-propynyloxy)ethyl)-, (E)-2-butenedioate(2:3)
RN: 87233-60-1
InChIKey: YJZCDCVYTLCPII-VQYXCCSOSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C34-H44-N8-O2.3C4-H4-O4

Molecular Weight

  • 944.9904
 
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Names and Synonyms

Synonym

  • 1-(2-(Propargyloxy)ethyl)-2-(4-methyl-1-piperazinyl)benzimidazole fumarate (2:3)

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 87233-60-1

System Generated Number

  • 0087233601

Molecular Formulas

Molecular Formula

  • C34-H44-N8-O2.3C4-H4-O4

Molecular Formula Fragments

  • C34-H44-N8-O2
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/2C17H22N4O.3C4H4O4/c2*1-3-13-22-14-12-21-16-7-5-4-6-15(16)18-17(21)20-10-8-19(2)9-11-20;3*5-3(6)1-2-4(7)8/h2*1,4-7H,8-14H2,2H3;3*1-2H,(H,5,6)(H,7,8)/b;;3*2-1+

InChIKey

YJZCDCVYTLCPII-VQYXCCSOSA-N

Smiles

CN1CCN(CC1)c2n(c3c(n2)cccc3)CCOCC#C.CN1CCN(CC1)c2n(c3c(n2)cccc3)CCOCC#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 818mg/kg (818mg/kg)   United States Patent Document. Vol. #4430343,