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Substance Name: 1H-Benzimidazole, 2-(hexahydro-4-methyl-1H-1,4-diazepin-1-yl)-1-(2-propoxyethyl)-, (E)-2-butenedioate (1:2)
RN: 87250-52-0
InChIKey: ANZIESYBCKZQRJ-LVEZLNDCSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H28-N4-O.2C4-H4-O4

Molecular Weight

  • 548.5894
 
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Names and Synonyms

Synonym

  • 1-(2-(n-Propoxy)ethyl)-2-(4-methyl-1-homopiperazinyl)benzimidazole difumarate

Systematic Name

  • 1H-Benzimidazole, 2-(hexahydro-4-methyl-1H-1,4-diazepin-1-yl)-1-(2-propoxyethyl)-, (E)-2-butenedioate (1:2)

Registry Numbers

CAS Registry Number

  • 87250-52-0

System Generated Number

  • 0087250520

Molecular Formulas

Molecular Formula

  • C18-H28-N4-O.2C4-H4-O4

Molecular Formula Fragments

  • C18-H28-N4-O
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C18H28N4O.2C4H4O4/c1-3-14-23-15-13-22-17-8-5-4-7-16(17)19-18(22)21-10-6-9-20(2)11-12-21;2*5-3(6)1-2-4(7)8/h4-5,7-8H,3,6,9-15H2,1-2H3;2*1-2H,(H,5,6)(H,7,8)/b;2*2-1+

InChIKey

ANZIESYBCKZQRJ-LVEZLNDCSA-N

Smiles

CCCOCCn1c(nc2c1cccc2)N3CCN(CCC3)C.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 884mg/kg (884mg/kg)   United States Patent Document. Vol. #4430343,