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Substance Name: Piperazine, 1-(cyclopropylcarbonyl)-4-(2-(4-(3-(trifluoromethyl)phenyl)-1-piperazinyl)ethyl)-, (E)-2-butenedioate (1:2)
RN: 65274-62-6
InChIKey: VNUSCFQWEIXBSH-LVEZLNDCSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H29-F3-N4-O.2C4-H4-O4

Molecular Weight

  • 642.6243
 
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Names and Synonyms

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

Registry Numbers

CAS Registry Number

  • 65274-62-6

System Generated Number

  • 0065274626

Molecular Formulas

Molecular Formula

  • C21-H29-F3-N4-O.2C4-H4-O4

Molecular Formula Fragments

  • C21-H29-F3-N4-O
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C21H29F3N4O.2C4H4O4/c22-21(23,24)18-2-1-3-19(16-18)27-12-8-25(9-13-27)6-7-26-10-14-28(15-11-26)20(29)17-4-5-17;2*5-3(6)1-2-4(7)8/h1-3,16-17H,4-15H2;2*1-2H,(H,5,6)(H,7,8)/b;2*2-1+

InChIKey

VNUSCFQWEIXBSH-LVEZLNDCSA-N

Smiles

c1cc(cc(c1)C(F)(F)F)N2CCN(CC2)CCN3CCN(CC3)C(=O)C4CC4.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,