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Substance Name: 1-Piperazineacetic acid, alpha,alpha-dimethyl-4-(2-(4-(3-(trifluoromethyl)phenyl)-1-piperazinyl)ethyl)-, ethyl ester, (E)-2-butenedioate (1:2)
RN: 65274-50-2
InChIKey: MRYHPRAYYJNXLK-LVEZLNDCSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C23-H35-F3-N4-O2.2C4-H4-O4

Molecular Weight

  • 688.6927
 
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Names and Synonyms

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

Registry Numbers

CAS Registry Number

  • 65274-50-2

System Generated Number

  • 0065274502

Molecular Formulas

Molecular Formula

  • C23-H35-F3-N4-O2.2C4-H4-O4

Molecular Formula Fragments

  • C23-H35-F3-N4-O2
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C23H35F3N4O2.2C4H4O4/c1-4-32-21(31)22(2,3)30-16-12-28(13-17-30)9-8-27-10-14-29(15-11-27)20-7-5-6-19(18-20)23(24,25)26;2*5-3(6)1-2-4(7)8/h5-7,18H,4,8-17H2,1-3H3;2*1-2H,(H,5,6)(H,7,8)/b;2*2-1+

InChIKey

MRYHPRAYYJNXLK-LVEZLNDCSA-N

Smiles

CCOC(=O)C(N1CCN(CC1)CCN2CCN(CC2)c3cc(ccc3)C(F)(F)F)(C)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 440mg/kg (440mg/kg)   French Demande Patent Document. Vol. #2326923,