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Substance Name: Pyrimidine, 3,4,5,6-tetrahydro-2-(alpha-ethoxy-3-fluorobenzyl)-5-ethyl-5-methyl-
RN: 33210-49-0
InChIKey: ITTHQSUWVWGHKT-UHFFFAOYSA-N

Molecular Formula

  • C16-H23-F-N2-O

Molecular Weight

  • 278.369
 
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Names and Synonyms

Synonyms

  • 2-(alpha-Ethoxy-3-fluorobenzyl)-5-ethyl-5-methyl-3,4,5,6-tetrahydropyrimidine
  • 2-(alpha-Ethoxy-m-fluorobenzyl)-5-ethyl-5-methyl-3,4,5,6-tetrahydropyrimidine
  • 3,4,5,6-Tetrahydro-2-(alpha-ethoxy-3-fluorobenzyl)-5-ethyl-5-methylpyrimidine
  • 3,4,5,6-Tetrahydro-2-(alpha-ethoxy-m-fluorobenzyl)-5-ethyl-5-methylpyrimidine
  • 5-23-11-00418 (Beilstein Handbook Reference)
  • BRN 0815113

Systematic Name

  • Pyrimidine, 3,4,5,6-tetrahydro-2-(alpha-ethoxy-3-fluorobenzyl)-5-ethyl-5-methyl-

Registry Numbers

CAS Registry Number

  • 33210-49-0

System Generated Number

  • 0033210490

Structure Descriptors

InChI

1S/C16H23FN2O/c1-4-16(3)10-18-15(19-11-16)14(20-5-2)12-7-6-8-13(17)9-12/h6-9,14H,4-5,10-11H2,1-3H3,(H,18,19)

InChIKey

ITTHQSUWVWGHKT-UHFFFAOYSA-N

Smiles

C1(=NC[C@@](CN1)(CC)C)[C@@H](c1cc(F)ccc1)OCC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 oral 165mg/kg (165mg/kg)   Journal of Medicinal Chemistry. Vol. 17, Pg. 702, 1974.