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Substance Name: 1H-Benzimidazole, 2-((4-methyl-1-piperazinyl)methyl)-1-(2-(2-propynyloxy)ethyl)-, (E)-2-butenedioate, hydrate (2:2:1)
RN: 95894-14-7
InChIKey: LGSOHLJOEMZMAI-VNKKNNBQSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H24-N4-O.C4-H4-O4.1/2H2-O

Molecular Weight

  • 879.0188
 
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Names and Synonyms

Synonym

  • 1-(2-Propargyloxyethyl)-2-(4-methyl-1-piperazinyl)methylbenzimidazole fumarate H2O (2:2:1)

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 95894-14-7

System Generated Number

  • 0095894147

Molecular Formulas

Molecular Formula

  • C18-H24-N4-O.C4-H4-O4.1/2H2-O

Molecular Formula Fragments

  • C18-H24-N4-O
  • C4-H4-O4
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/2C18H26N4O.2C4H4O4.H2O/c2*1-3-13-23-14-12-22-17-7-5-4-6-16(17)19-18(22)15-21-10-8-20(2)9-11-21;2*5-3(6)1-2-4(7)8;/h2*3-7H,1,8-15H2,2H3;2*1-2H,(H,5,6)(H,7,8);1H2/b;;2*2-1+;

InChIKey

LGSOHLJOEMZMAI-VNKKNNBQSA-N

Smiles

c1(nc2c(n1CCOCC=C)cccc2)CN1CCN(CC1)C.C(=O)(/C=C/C(=O)O)O.O.c1(nc2c(n1CCOCC=C)cccc2)CN1CCN(CC1)C.C(=O)(/C=C/C(=O)O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 891mg/kg (891mg/kg)   United States Patent Document. Vol. #4603130,