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Substance Name: 5-Pyrimidinecarboxamide, N-((1-ethyl-2-pyrrolidinyl)methyl)-4-isopropoxy-2-methyl-, fumarate (2:1)
RN: 72412-09-0
InChIKey: PPGIFQVKUTVOLX-WLHGVMLRSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H26-N4-O2.1/2C4-H4-O4

Molecular Weight

  • 436.5058
 
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Names and Synonyms

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

Registry Numbers

CAS Registry Number

  • 72412-09-0

System Generated Number

  • 0072412090

Molecular Formulas

Molecular Formula

  • C16-H26-N4-O2.1/2C4-H4-O4

Molecular Formula Fragments

  • C16-H26-N4-O2
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C17H28N4O2.C4H4O4/c1-6-21-9-7-8-13(21)10-19-15(22)14-11-18-12(2)20-16(14)23-17(3,4)5;5-3(6)1-2-4(7)8/h11,13H,6-10H2,1-5H3,(H,19,22);1-2H,(H,5,6)(H,7,8)/b;2-1+

InChIKey

PPGIFQVKUTVOLX-WLHGVMLRSA-N

Smiles

CCN1CCCC1CNC(=O)c2cnc(nc2OC(C)(C)C)C.C(=C/C(=O)O)\C(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 170mg/kg (170mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 17, Pg. 437, 1982.