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Substance Name: 5-Pyrimidinecarboxamide, 2-amino-N-(1-ethyl-3-pyrrolidinyl)-4-methoxy-, (E)-2-butenedioate (1:1)
RN: 84332-17-2
InChIKey: JGJKDXAVNJHAAJ-WLHGVMLRSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C12-H19-N5-O2.C4-H4-O4

Molecular Weight

  • 381.3867
 
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Names and Synonyms

  • 5-Pyrimidinecarboxamide, 2-amino-N-(1-ethyl-3-pyrrolidinyl)-4-methoxy-, (E)-2-butenedioate (1:1)

Registry Numbers

CAS Registry Number

  • 84332-17-2

System Generated Number

  • 0084332172

Molecular Formulas

Molecular Formula

  • C12-H19-N5-O2.C4-H4-O4

Molecular Formula Fragments

  • C12-H19-N5-O2
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C12H19N5O2.C4H4O4/c1-3-17-5-4-8(7-17)15-10(18)9-6-14-12(13)16-11(9)19-2;5-3(6)1-2-4(7)8/h6,8H,3-5,7H2,1-2H3,(H,15,18)(H2,13,14,16);1-2H,(H,5,6)(H,7,8)/b;2-1+

InChIKey

JGJKDXAVNJHAAJ-WLHGVMLRSA-N

Smiles

CCN1CCC(C1)NC(=O)c2cnc(nc2OC)N.C(=C/C(=O)O)\C(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal > 400mg/kg (400mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 17, Pg. 437, 1982.