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Substance Name: 5-Pyrimidinecarboxamide, N-(8-benzyl-3-beta-nortropanyl)-4-methoxy-2-methyl-, maleate (2:3)
RN: 84923-03-5
InChIKey: YEZKOGIXOYMWGE-VQYXCCSOSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H26-N4-O2.3/2C4-H4-O4

Molecular Weight

  • 1081.1396
 
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Names and Synonyms

Synonym

  • N-(8-Benzyl-3-beta-nortropanyl)-4-methoxy-2-methyl-5-pyrimidinecarboxamide maleate (2:3)

Systematic Name

  • 5-Pyrimidinecarboxamide, N-(8-benzyl-3-beta-nortropanyl)-4-methoxy-2-methyl-, maleate (2:3)

Registry Numbers

CAS Registry Number

  • 84923-03-5

System Generated Number

  • 0084923035

Molecular Formulas

Molecular Formula

  • C21-H26-N4-O2.3/2C4-H4-O4

Molecular Formula Fragments

  • C21-H26-N4-O2
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/2C21H26N4O2.3C4H4O4/c2*1-14-22-12-19(21(23-14)27-2)20(26)24-16-10-17-8-9-18(11-16)25(17)13-15-6-4-3-5-7-15;3*5-3(6)1-2-4(7)8/h2*3-7,12,16-18H,8-11,13H2,1-2H3,(H,24,26);3*1-2H,(H,5,6)(H,7,8)/b;;3*2-1+

InChIKey

YEZKOGIXOYMWGE-VQYXCCSOSA-N

Smiles

Cc1nc(c(cn1)C(=O)NC2CC3N(C(C2)CC3)Cc4ccccc4)OC.Cc1nc(c(cn1)C(=O)NC2CC3N(C(C2)CC3)Cc4ccccc4)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 77mg/kg (77mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 19, Pg. 105, 1984.