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Substance Name: Piperazine, 1-(4-nitrobenzoyl)-4-(2-(4-(3-(trifluoromethyl)phenyl)-1-piperazinyl)ethyl)-, (E)-2-butenedioate (1:2)
RN: 65274-68-2
InChIKey: VBYNCUINSXRBBB-LVEZLNDCSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C24-H28-F3-N5-O3.2C4-H4-O4

Molecular Weight

  • 723.6544
 
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Names and Synonyms

  • Piperazine, 1-(4-nitrobenzoyl)-4-(2-(4-(3-(trifluoromethyl)phenyl)-1-piperazinyl)ethyl)-, (E)-2-butenedioate (1:2)

Registry Numbers

CAS Registry Number

  • 65274-68-2

System Generated Number

  • 0065274682

Molecular Formulas

Molecular Formula

  • C24-H28-F3-N5-O3.2C4-H4-O4

Molecular Formula Fragments

  • C24-H28-F3-N5-O3
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C24H28F3N5O3.2C4H4O4/c25-24(26,27)20-2-1-3-22(18-20)30-14-10-28(11-15-30)8-9-29-12-16-31(17-13-29)23(33)19-4-6-21(7-5-19)32(34)35;2*5-3(6)1-2-4(7)8/h1-7,18H,8-17H2;2*1-2H,(H,5,6)(H,7,8)/b;2*2-1+

InChIKey

VBYNCUINSXRBBB-LVEZLNDCSA-N

Smiles

c1cc(cc(c1)C(F)(F)F)N2CCN(CC2)CCN3CCN(CC3)C(=O)c4ccc(cc4)[N+](=O)[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 LD50 oral 728mg/kg (728mg/kg)   French Demande Patent Document. Vol. #2326923,