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Substance Name: 5-Pyrimidinecarboxamide, 2-amino-N-(1-benzyl-3-pyrrolidinyl)-4-methoxy-, oxalate
RN: 72412-41-0
InChIKey: NBKUIBVEZRIFFQ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C17-H21-N5-O2.C2-H2-O4

Molecular Weight

  • 417.4197
 
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Names and Synonyms

Synonym

  • 2-Amino-N-(1-benzyl-3-pyrrolidinyl)-4-methoxy-5-pyrimidinecarboxamide oxalate

Systematic Name

  • 5-Pyrimidinecarboxamide, 2-amino-N-(1-benzyl-3-pyrrolidinyl)-4-methoxy-, oxalate

Registry Numbers

CAS Registry Number

  • 72412-41-0

System Generated Number

  • 0072412410

Molecular Formulas

Molecular Formula

  • C17-H21-N5-O2.C2-H2-O4

Molecular Formula Fragments

  • C17-H21-N5-O2
  • C2-H2-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C17H21N5O2.C2H2O4/c1-24-16-14(9-19-17(18)21-16)15(23)20-13-7-8-22(11-13)10-12-5-3-2-4-6-12;3-1(4)2(5)6/h2-6,9,13H,7-8,10-11H2,1H3,(H,20,23)(H2,18,19,21);(H,3,4)(H,5,6)

InChIKey

NBKUIBVEZRIFFQ-UHFFFAOYSA-N

Smiles

COc1c(cnc(n1)N)C(=O)NC2CCN(C2)Cc3ccccc3.C(=O)(C(=O)O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 150mg/kg (150mg/kg) BEHAVIORAL: REGIDITY European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 17, Pg. 437, 1982.