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Substance Name: Oxiranecarboxylic acid, 3-(((3-methyl-1-((4-((2,3,4-trimethoxyphenyl)methyl)-1-piperazinyl)carbonyl)butyl)amino)carbonyl)-, 2-methylpropyl ester, sulfate (2:1)
RN: 84456-48-4
InChIKey: QMVVJTNYGVGUIR-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C28-H43-N3-O8.1/2H2-O4-S

Molecular Weight

  • 1197.3992
 
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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)-, 2-methylpropyl ester, sulfate (2:1)

Registry Numbers

CAS Registry Number

  • 84456-48-4

System Generated Number

  • 0084456484

Molecular Formulas

Molecular Formula

  • C28-H43-N3-O8.1/2H2-O4-S

Molecular Formula Fragments

  • C28-H43-N3-O8
  • COMPONENT
  • H2-O4-S

Structure Descriptors

InChI

1S/2C28H43N3O8.H2O4S/c2*1-17(2)14-20(29-26(32)24-25(39-24)28(34)38-16-18(3)4)27(33)31-12-10-30(11-13-31)15-19-8-9-21(35-5)23(37-7)22(19)36-6;1-5(2,3)4/h2*8-9,17-18,20,24-25H,10-16H2,1-7H3,(H,29,32);(H2,1,2,3,4)

InChIKey

QMVVJTNYGVGUIR-UHFFFAOYSA-N

Smiles

CC(C)CC(C(=O)N1CCN(CC1)Cc2ccc(c(c2OC)OC)OC)NC(=O)C3C(O3)C(=O)OCC(C)C.CC(C)CC(C(=O)N1CCN(CC1)Cc2ccc(c(c2OC)OC)OC)NC(=O)C3C(O3)C(=O)OCC(C)C.OS(=O)(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 440mg/kg (440mg/kg)   United States Patent Document. Vol. #4507297,