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Substance Name: Oxiranecarboxylic acid, 3-(((3-methyl-1-((4-(phenylmethyl)-1-piperazinyl)carbonyl)butyl)amino)carbonyl)-, monosodium salt
RN: 84456-39-3
InChIKey: HAUJVFZPKVRLGM-UHFFFAOYSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H28-N3-O5.Na

Molecular Weight

  • 425.4582
 
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Names and Synonyms

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

Registry Numbers

CAS Registry Number

  • 84456-39-3

System Generated Number

  • 0084456393

Molecular Formulas

Molecular Formula

  • C21-H28-N3-O5.Na

Molecular Formula Fragments

  • C21-H28-N3-O5
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C21H29N3O5.Na/c1-14(2)12-16(22-19(25)17-18(29-17)21(27)28)20(26)24-10-8-23(9-11-24)13-15-6-4-3-5-7-15;/h3-7,14,16-18H,8-13H2,1-2H3,(H,22,25)(H,27,28);/q;+1/p-1

InChIKey

HAUJVFZPKVRLGM-UHFFFAOYSA-M

Smiles

CC(C)CC(C(=O)N1CCN(CC1)Cc2ccccc2)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,