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Substance Name: 5-Pyrimidinecarboxamide, 2-amino-N-(8-benzyl-3-beta-nortropanyl)-4-ethoxy-, monomaleate
RN: 76351-83-2
InChIKey: IRWQVMVUALKIAX-WLHGVMLRSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H27-N5-O2.C4-H4-O4

Molecular Weight

  • 497.5489
 
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Names and Synonyms

Synonym

  • 2-Amino-N-(8-benzyl-3-beta-nortropanyl)-4-ethoxy-5-pyrimidinecarboxamide maleate

Systematic Name

  • 5-Pyrimidinecarboxamide, 2-amino-N-(8-benzyl-3-beta-nortropanyl)-4-ethoxy-, monomaleate

Registry Numbers

CAS Registry Number

  • 76351-83-2

System Generated Number

  • 0076351832

Molecular Formulas

Molecular Formula

  • C21-H27-N5-O2.C4-H4-O4

Molecular Formula Fragments

  • C21-H27-N5-O2
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C21H27N5O2.C4H4O4/c1-2-28-20-18(12-23-21(22)25-20)19(27)24-15-10-16-8-9-17(11-15)26(16)13-14-6-4-3-5-7-14;5-3(6)1-2-4(7)8/h3-7,12,15-17H,2,8-11,13H2,1H3,(H,24,27)(H2,22,23,25);1-2H,(H,5,6)(H,7,8)/b;2-1+

InChIKey

IRWQVMVUALKIAX-WLHGVMLRSA-N

Smiles

CCOc1c(cnc(n1)N)C(=O)NC2CC3CCC(C2)N3Cc4ccccc4.C(=C/C(=O)O)\C(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 300mg/kg (300mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 19, Pg. 105, 1984.