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Substance Name: Oxiranecarboxylic acid, 3-(((3-methyl-1-((4-((2,3,4-trimethoxyphenyl)methyl)-1-piperazinyl)carbonyl)butyl)amino)carbonyl)-, monosodium salt, (2R-(2-alpha,3-beta(S*)))-
RN: 84518-83-2
InChIKey: OZYMBTXBVRWWOX-XPPUWIFXSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C24-H34-N3-O8.Na

Molecular Weight

  • 515.5356
 
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Names and Synonyms

  • Oxiranecarboxylic acid, 3-(((3-methyl-1-((4-((2,3,4-trimethoxyphenyl)methyl)-1-piperazinyl)carbonyl)butyl)amino)carbonyl)-, monosodium salt, (2R-(2-alpha,3-beta(S*)))-

Registry Numbers

CAS Registry Number

  • 84518-83-2

System Generated Number

  • 0084518832

Molecular Formulas

Molecular Formula

  • C24-H34-N3-O8.Na

Molecular Formula Fragments

  • C24-H34-N3-O8
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C24H35N3O8.Na/c1-14(2)12-16(25-22(28)20-21(35-20)24(30)31)23(29)27-10-8-26(9-11-27)13-15-6-7-17(32-3)19(34-5)18(15)33-4;/h6-7,14,16,20-21H,8-13H2,1-5H3,(H,25,28)(H,30,31);/q;+1/p-1/t16?,20-,21-;/m1./s1

InChIKey

OZYMBTXBVRWWOX-XPPUWIFXSA-M

Smiles

CC(C)CC(C(=O)N1CCN(CC1)Cc2ccc(c(c2OC)OC)OC)NC(=O)[C@H]3[C@@H](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,