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Substance Name: Oxiranecarboxylic acid, 3-(((3-methyl-1-((4-(2-pyrimidinyl)-1-piperazinyl)carbonyl)butyl)amino)carbonyl)-, monosodium salt
RN: 84456-45-1
InChIKey: OMRBDSQLPJJDLJ-UHFFFAOYSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H24-N5-O5.Na

Molecular Weight

  • 413.4076
 
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Names and Synonyms

  • Oxiranecarboxylic acid, 3-(((3-methyl-1-((4-(2-pyrimidinyl)-1-piperazinyl)carbonyl)butyl)amino)carbonyl)-, monosodium salt

Registry Numbers

CAS Registry Number

  • 84456-45-1

System Generated Number

  • 0084456451

Molecular Formulas

Molecular Formula

  • C18-H24-N5-O5.Na

Molecular Formula Fragments

  • C18-H24-N5-O5
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C18H25N5O5.Na/c1-11(2)10-12(21-15(24)13-14(28-13)17(26)27)16(25)22-6-8-23(9-7-22)18-19-4-3-5-20-18;/h3-5,11-14H,6-10H2,1-2H3,(H,21,24)(H,26,27);/q;+1/p-1

InChIKey

OMRBDSQLPJJDLJ-UHFFFAOYSA-M

Smiles

CC(C)CC(C(=O)N1CCN(CC1)c2ncccn2)NC(=O)C3C(O3)C(=O)[O-].[Na+]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD intravenous > 1125mg/kg (1125mg/kg)   United States Patent Document. Vol. #4507297,