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Substance Name: KB 5492
RN: 129200-10-8
InChIKey: JUOYRBCKLAPYBI-WLHGVMLRSA-N

Molecular Formula

  • C23-H30-N2-O6.C4-H4-O4

Molecular Weight

  • 546.5696
 
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Names and Synonyms

Name of Substance

  • KB 5492

Synonyms

  • 1-(3,4,5-Trimethoxybenzyl)-4-((4-methoxyphenyl)oxycarbonylmethyl)piperazine
  • 4-Methoxyphenyl 4-((3,4,5-trimethoxyphenyl)methyl)-1-piperazineacetate (E)-2-butenedioate (1:1)
  • KB-5492

Systematic Name

  • 1-Piperazineacetic acid, 4-((3,4,5-trimethoxyphenyl)methyl)-, 4-methoxyphenyl ester, (E)-2-butenedioate (1:1)

Registry Numbers

CAS Registry Number

  • 129200-10-8

System Generated Number

  • 0129200108

Molecular Formulas

Molecular Formula

  • C23-H30-N2-O6.C4-H4-O4

Molecular Formula Fragments

  • C23-H30-N2-O6
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C23H30N2O6.C4H4O4/c1-27-18-5-7-19(8-6-18)31-22(26)16-25-11-9-24(10-12-25)15-17-13-20(28-2)23(30-4)21(14-17)29-3;5-3(6)1-2-4(7)8/h5-8,13-14H,9-12,15-16H2,1-4H3;1-2H,(H,5,6)(H,7,8)/b;2-1+

InChIKey

JUOYRBCKLAPYBI-WLHGVMLRSA-N

Smiles

COc1ccc(cc1)OC(=O)CN2CCN(CC2)Cc3cc(c(c(c3)OC)OC)OC.C(=C/C(=O)O)\C(=O)O