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Substance Name: 1-Piperazineacetic acid, alpha-methyl-4-(2-(4-(3-(trifluoromethyl)phenyl)-1-piperazinyl)ethyl)-, nonyl ester, (E)-2-butenedioate (1:2)
RN: 65274-54-6
InChIKey: XDMAAHZUUZQGQD-LVEZLNDCSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C29-H47-F3-N4-O2.2C4-H4-O4

Molecular Weight

  • 772.8535
 
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Names and Synonyms

  • 1-Piperazineacetic acid, alpha-methyl-4-(2-(4-(3-(trifluoromethyl)phenyl)-1-piperazinyl)ethyl)-, nonyl ester, (E)-2-butenedioate (1:2)

Registry Numbers

CAS Registry Number

  • 65274-54-6

System Generated Number

  • 0065274546

Molecular Formulas

Molecular Formula

  • C29-H47-F3-N4-O2.2C4-H4-O4

Molecular Formula Fragments

  • C29-H47-F3-N4-O2
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C29H47F3N4O2.2C4H4O4/c1-3-4-5-6-7-8-9-23-38-28(37)25(2)35-19-15-33(16-20-35)13-14-34-17-21-36(22-18-34)27-12-10-11-26(24-27)29(30,31)32;2*5-3(6)1-2-4(7)8/h10-12,24-25H,3-9,13-23H2,1-2H3;2*1-2H,(H,5,6)(H,7,8)/b;2*2-1+

InChIKey

XDMAAHZUUZQGQD-LVEZLNDCSA-N

Smiles

CCCCCCCCCOC(=O)C(N1CCN(CC1)CCN2CCN(CC2)c3cc(ccc3)C(F)(F)F)C.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 3200mg/kg (3200mg/kg)   French Demande Patent Document. Vol. #2326923,