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Substance Name: 5-Pyrimidinecarboxamide, N-((1-ethyl-2-pyrrolidinyl)methyl)-4-methoxy-2-propyl-, fumarate, (2:3)
RN: 72412-13-6
InChIKey: YCRPVSAYMOQFBC-VQYXCCSOSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H26-N4-O2.3/2C4-H4-O4

Molecular Weight

  • 961.0296
 
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Names and Synonyms

  • 5-Pyrimidinecarboxamide, N-((1-ethyl-2-pyrrolidinyl)methyl)-4-methoxy-2-propyl-, fumarate, (2:3)

Registry Numbers

CAS Registry Number

  • 72412-13-6

System Generated Number

  • 0072412136

Molecular Formulas

Molecular Formula

  • C16-H26-N4-O2.3/2C4-H4-O4

Molecular Formula Fragments

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

Structure Descriptors

InChI

1S/2C16H26N4O2.3C4H4O4/c2*1-4-7-14-17-11-13(16(19-14)22-3)15(21)18-10-12-8-6-9-20(12)5-2;3*5-3(6)1-2-4(7)8/h2*11-12H,4-10H2,1-3H3,(H,18,21);3*1-2H,(H,5,6)(H,7,8)/b;;3*2-1+

InChIKey

YCRPVSAYMOQFBC-VQYXCCSOSA-N

Smiles

CCCc1nc(c(cn1)C(=O)NCC2N(CCC2)CC)OC.CCCc1nc(c(cn1)C(=O)NCC2N(CCC2)CC)OC.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 200mg/kg (200mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 17, Pg. 437, 1982.