Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: 1H-Benzimidazole, 1-(2-ethoxyethyl)-2-((4-methyl-1-piperazinyl)methyl)-, (E)-2-butenedioate, hydrate (2:2:1)
RN: 95893-98-4
InChIKey: KHBUKCOVKDHPJF-VNKKNNBQSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C17-H16-N4-O.C4-H4-O4.1/2H2-O

Molecular Weight

  • 854.9968
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Synonym

  • 1-(2-Ethoxyethyl)-2-((4-methyl-1-piperazinyl)methyl)benzimidazole monofumarate semihydrate

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 95893-98-4

System Generated Number

  • 0095893984

Molecular Formulas

Molecular Formula

  • C17-H16-N4-O.C4-H4-O4.1/2H2-O

Molecular Formula Fragments

  • C17-H16-N4-O
  • C4-H4-O4
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/2C17H26N4O.2C4H4O4.H2O/c2*1-3-22-13-12-21-16-7-5-4-6-15(16)18-17(21)14-20-10-8-19(2)9-11-20;2*5-3(6)1-2-4(7)8;/h2*4-7H,3,8-14H2,1-2H3;2*1-2H,(H,5,6)(H,7,8);1H2/b;;2*2-1+;

InChIKey

KHBUKCOVKDHPJF-VNKKNNBQSA-N

Smiles

c1(nc2c(n1CCOCC)cccc2)CN1CCN(CC1)C.C(=O)(/C=C/C(=O)O)O.O.c1(nc2c(n1CCOCC)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 789mg/kg (789mg/kg)   United States Patent Document. Vol. #4603130,