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Substance Name: 2H-Pyrido(1,2-a)pyrimidinium, 1-cyclohexyl-3-hydroxy-4-((4-methyl-1-piperazinyl)methyl)-2-oxo-, hydroxide, inner salt, (Z)-2-butenedioate (1:2) (salt)
RN: 124068-73-1
InChIKey: LNHBJMZGJOFEMS-VEXNDCCSSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H28-N4-O2.2C4-H4-O4

Molecular Weight

  • 588.6104
 
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Names and Synonyms

  • 2H-Pyrido(1,2-a)pyrimidinium, 1-cyclohexyl-3-hydroxy-4-((4-methyl-1-piperazinyl)methyl)-2-oxo-, hydroxide, inner salt, (Z)-2-butenedioate (1:2) (salt)

Registry Numbers

CAS Registry Number

  • 124068-73-1

System Generated Number

  • 0124068731

Molecular Formulas

Molecular Formula

  • C20-H28-N4-O2.2C4-H4-O4

Molecular Formula Fragments

  • C20-H28-N4-O2
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C20H28N4O2.2C4H4O4/c1-21-11-13-22(14-12-21)15-17-19(25)20(26)24(16-7-3-2-4-8-16)18-9-5-6-10-23(17)18;2*5-3(6)1-2-4(7)8/h5-6,9-10,16H,2-4,7-8,11-15H2,1H3;2*1-2H,(H,5,6)(H,7,8)/b;2-1+;2-1-

InChIKey

LNHBJMZGJOFEMS-VEXNDCCSSA-N

Smiles

CN1CCN(CC1)Cc2c(c(=O)[n+](c3n2cccc3)C4CCCCC4)O.C(=C/C(=O)O)\C(=O)O.C(=C\C(=O)[O-])\C(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LDLo oral 1156mg/kg (1156mg/kg)   Collection of Czechoslovak Chemical Communications. Vol. 54, Pg. 1376, 1989.