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Substance Name: 1-Piperazinecarboxylic acid, 4-(2-(4-(3-(trifluoromethyl)phenyl)-1-piperazinyl)ethyl)-, ethyl ester, (E)-2-butenedioate (1:2)
RN: 65274-77-3
InChIKey: ZZHVLBILNBYYEV-LVEZLNDCSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H29-F3-N4-O2.2C4-H4-O4

Molecular Weight

  • 646.6123
 
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Names and Synonyms

  • 1-Piperazinecarboxylic acid, 4-(2-(4-(3-(trifluoromethyl)phenyl)-1-piperazinyl)ethyl)-, ethyl ester, (E)-2-butenedioate (1:2)

Registry Numbers

CAS Registry Number

  • 65274-77-3

System Generated Number

  • 0065274773

Molecular Formulas

Molecular Formula

  • C20-H29-F3-N4-O2.2C4-H4-O4

Molecular Formula Fragments

  • C20-H29-F3-N4-O2
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C20H29F3N4O2.2C4H4O4/c1-2-29-19(28)27-14-10-25(11-15-27)7-6-24-8-12-26(13-9-24)18-5-3-4-17(16-18)20(21,22)23;2*5-3(6)1-2-4(7)8/h3-5,16H,2,6-15H2,1H3;2*1-2H,(H,5,6)(H,7,8)/b;2*2-1+

InChIKey

ZZHVLBILNBYYEV-LVEZLNDCSA-N

Smiles

CCOC(=O)N1CCN(CC1)CCN2CCN(CC2)c3cc(ccc3)C(F)(F)F.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 1780mg/kg (1780mg/kg)   French Demande Patent Document. Vol. #2326923,