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Substance Name: 1-Piperazineacetic acid, alpha-methyl-4-(2-(4-(3-(trifluoromethyl)phenyl)-1-piperazinyl)ethyl)-, diphenylmethyl ester, (E)-2-butenedioate (1:2)
RN: 65274-52-4
InChIKey: NHUAEZADNBCICU-LVEZLNDCSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C33-H39-F3-N4-O2.2C4-H4-O4

Molecular Weight

  • 812.8343
 
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Names and Synonyms

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

Registry Numbers

CAS Registry Number

  • 65274-52-4

System Generated Number

  • 0065274524

Molecular Formulas

Molecular Formula

  • C33-H39-F3-N4-O2.2C4-H4-O4

Molecular Formula Fragments

  • C33-H39-F3-N4-O2
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C33H39F3N4O2.2C4H4O4/c1-26(32(41)42-31(27-9-4-2-5-10-27)28-11-6-3-7-12-28)39-21-17-37(18-22-39)15-16-38-19-23-40(24-20-38)30-14-8-13-29(25-30)33(34,35)36;2*5-3(6)1-2-4(7)8/h2-14,25-26,31H,15-24H2,1H3;2*1-2H,(H,5,6)(H,7,8)/b;2*2-1+

InChIKey

NHUAEZADNBCICU-LVEZLNDCSA-N

Smiles

CC(N1CCN(CC1)CCN2CCN(CC2)c3cc(ccc3)C(F)(F)F)C(=O)OC(c4ccccc4)c5ccccc5.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 2400mg/kg (2400mg/kg)   French Demande Patent Document. Vol. #2326923,