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Substance Name: Oxiranecarboxylic acid, 3-(((1-((4-(diphenylmethyl)-1-piperazinyl)carbonyl)-3-methylbutyl)amino)carbonyl)-, monosodium salt
RN: 84456-38-2
InChIKey: JJSRPMLZUUWVJC-UHFFFAOYSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C27-H32-N3-O5.Na

Molecular Weight

  • 501.5558
 
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Names and Synonyms

  • Oxiranecarboxylic acid, 3-(((1-((4-(diphenylmethyl)-1-piperazinyl)carbonyl)-3-methylbutyl)amino)carbonyl)-, monosodium salt

Registry Numbers

CAS Registry Number

  • 84456-38-2

System Generated Number

  • 0084456382

Molecular Formulas

Molecular Formula

  • C27-H32-N3-O5.Na

Molecular Formula Fragments

  • C27-H32-N3-O5
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C27H33N3O5.Na/c1-18(2)17-21(28-25(31)23-24(35-23)27(33)34)26(32)30-15-13-29(14-16-30)22(19-9-5-3-6-10-19)20-11-7-4-8-12-20;/h3-12,18,21-24H,13-17H2,1-2H3,(H,28,31)(H,33,34);/q;+1/p-1

InChIKey

JJSRPMLZUUWVJC-UHFFFAOYSA-M

Smiles

CC(C)CC(C(=O)N1CCN(CC1)C(c2ccccc2)c3ccccc3)NC(=O)C4C(O4)C(=O)[O-].[Na+]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 174mg/kg (174mg/kg)   United States Patent Document. Vol. #4507297,