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Substance Name: 5-Pyrimidinecarboxamide, 4-ethoxy-N-((1-ethyl-2-pyrrolidinyl)methyl)-2-methyl-, fumarate (2:5), (R)-(+)-
RN: 84413-97-8
InChIKey: YXSKDUYRPQJTPA-LBPBQVGISA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C15-H24-N4-O2.5/2C4-H4-O4

Molecular Weight

  • 1165.1192
 
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Names and Synonyms

  • 5-Pyrimidinecarboxamide, 4-ethoxy-N-((1-ethyl-2-pyrrolidinyl)methyl)-2-methyl-, fumarate (2:5), (R)-(+)-

Registry Numbers

CAS Registry Number

  • 84413-97-8

System Generated Number

  • 0084413978

Molecular Formulas

Molecular Formula

  • C15-H24-N4-O2.5/2C4-H4-O4

Molecular Formula Fragments

  • C15-H24-N4-O2
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/2C15H24N4O2.5C4H4O4/c2*1-4-19-8-6-7-12(19)9-17-14(20)13-10-16-11(3)18-15(13)21-5-2;5*5-3(6)1-2-4(7)8/h2*10,12H,4-9H2,1-3H3,(H,17,20);5*1-2H,(H,5,6)(H,7,8)/b;;5*2-1+/t2*12-;;;;;/m11...../s1

InChIKey

YXSKDUYRPQJTPA-LBPBQVGISA-N

Smiles

CCN1[C@H](CCC1)CNC(=O)c2c(nc(nc2)C)OCC.CCN1[C@H](CCC1)CNC(=O)c2c(nc(nc2)C)OCC.C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 230mg/kg (230mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 17, Pg. 437, 1982.