Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Barbituric acid, 5-ethyl-5-phenyl-1-(piperidinomethyl)-, ethanolate
RN: 6733-91-1
InChIKey: DIFPVULYVKMCQD-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H23-N3-O3.C2-H6-O

Molecular Weight

  • 375.4661
 
* 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

Synonyms

  • 1-(Piperidinomethyl)phenobarbital alcoholate
  • 5-Ethyl-5-phenyl-1-(piperidinomethyl)barbituric acid ethanolate

Systematic Name

  • Barbituric acid, 5-ethyl-5-phenyl-1-(piperidinomethyl)-, ethanolate

Registry Numbers

CAS Registry Number

  • 6733-91-1

System Generated Number

  • 0006733911

Molecular Formulas

Molecular Formula

  • C18-H23-N3-O3.C2-H6-O

Molecular Formula Fragments

  • C18-H23-N3-O3
  • C2-H6-O
  • COMPONENT

Structure Descriptors

InChI

1S/C18H23N3O3.C2H6O/c1-2-18(14-9-5-3-6-10-14)15(22)19-17(24)21(16(18)23)13-20-11-7-4-8-12-20;1-2-3/h3,5-6,9-10H,2,4,7-8,11-13H2,1H3,(H,19,22,24);3H,2H2,1H3

InChIKey

DIFPVULYVKMCQD-UHFFFAOYSA-N

Smiles

CCO.CCC1(C(=O)NC(=O)N(CN2CCCCC2)C1=O)c3ccccc3

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 500mg/kg (500mg/kg)   Journal of Medicinal Chemistry. Vol. 16, Pg. 602, 1973.