Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Benzonitrile, 4-((2-(4-((1,4-dihydro-4-oxo-2-pyrimidinyl)methylamino)-1-piperidinyl)-1H-benzimidazol-1-yl)methyl)-
RN: 108612-52-8
InChIKey: YMNVBJIOEDEBBD-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C25-H25-N7-O

Molecular Weight

  • 439.5205
 
* 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

  • Benzonitrile, 4-((2-(4-((1,4-dihydro-4-oxo-2-pyrimidinyl)methylamino)-1-piperidinyl)-1H-benzimidazol-1-yl)methyl)-

Registry Numbers

CAS Registry Number

  • 108612-52-8

System Generated Number

  • 0108612528

Structure Descriptors

InChI

1S/C25H25N7O/c1-30(24-27-13-10-23(33)29-24)20-11-14-31(15-12-20)25-28-21-4-2-3-5-22(21)32(25)17-19-8-6-18(16-26)7-9-19/h2-10,13,20H,11-12,14-15,17H2,1H3,(H,27,29,33)

InChIKey

YMNVBJIOEDEBBD-UHFFFAOYSA-N

Smiles

CN(c1[nH]ccc(=O)n1)C2CCN(CC2)c3nc4ccccc4n3Cc5ccc(cc5)C#N

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mammal (species unspecified) LD50 oral > 1gm/kg (1000mg/kg)   United States Patent Document. Vol. #4820710,