Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Propanamide, N-(2-(3-butyltetrahydro-1(2H)-pyrimidinyl)ethyl)-N-phenyl-, ethandioate, hydrate (2:4:1)
RN: 77869-77-3
InChIKey: ATXAXBMUSYSSCY-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C19-H31-N3-O.2C2-H2-O4.1/2H2-O

Molecular Weight

  • 497.5415
 
* 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

  • N-(2-(3-n-Butylhexahydropyrimidino)ethyl)propionanilide oxalate hydrate

Systematic Name

  • Propanamide, N-(2-(3-butyltetrahydro-1(2H)-pyrimidinyl)ethyl)-N-phenyl-, ethandioate, hydrate (2:4:1)

Registry Numbers

CAS Registry Number

  • 77869-77-3

System Generated Number

  • 0077869773

Molecular Formulas

Molecular Formula

  • C19-H31-N3-O.2C2-H2-O4.1/2H2-O

Molecular Formula Fragments

  • C19-H31-N3-O
  • C2-H2-O4
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C19H31N3O.2C2H2O4/c1-3-5-12-20-13-9-14-21(17-20)15-16-22(19(23)4-2)18-10-7-6-8-11-18;2*3-1(4)2(5)6/h6-8,10-11H,3-5,9,12-17H2,1-2H3;2*(H,3,4)(H,5,6)

InChIKey

ATXAXBMUSYSSCY-UHFFFAOYSA-N

Smiles

CCCCN1CCCN(C1)CCN(c2ccccc2)C(=O)CC.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD subcutaneous > 300mg/kg (300mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) Chemical and Pharmaceutical Bulletin. Vol. 28, Pg. 3310, 1980.