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Substance Name: 1H-Benzimidazole, 2-((hexahydro-4-methyl-1H-1,4-diazepin-1-yl)methyl)-1-(2-(2-propynyloxy)ethyl)-, (E)-2-butenedioate (2:3)
RN: 95894-16-9
InChIKey: RWHVEXYYFXAURP-VQYXCCSOSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C38-H52-N8-O2.3C4-H4-O4

Molecular Weight

  • 1001.0976
 
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Names and Synonyms

Synonym

  • 1-(2-Propargyloxyethyl)-2-(4-methyl-1-homopiperazinyl)methylbenzimidazole fumarate (2:3)

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 95894-16-9

System Generated Number

  • 0095894169

Molecular Formulas

Molecular Formula

  • C38-H52-N8-O2.3C4-H4-O4

Molecular Formula Fragments

  • C38-H52-N8-O2
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/2C19H26N4O.3C4H4O4/c2*1-3-14-24-15-13-23-18-8-5-4-7-17(18)20-19(23)16-22-10-6-9-21(2)11-12-22;3*5-3(6)1-2-4(7)8/h2*1,4-5,7-8H,6,9-16H2,2H3;3*1-2H,(H,5,6)(H,7,8)/b;;3*2-1+

InChIKey

RWHVEXYYFXAURP-VQYXCCSOSA-N

Smiles

c1(nc2c(n1CCOCC#C)cccc2)CN1CCN(CCC1)C.C(=O)(/C=C/C(=O)O)O.c1(nc2c(n1CCOCC#C)cccc2)CN1CCN(CCC1)C.C(=O)(/C=C/C(=O)O)O.C(=O)(/C=C/C(=O)O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 524mg/kg (524mg/kg)   United States Patent Document. Vol. #4603130,