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Substance Name: Piperazine, 1-(10,11-dihydro-3-fluoro-8-(trifluoromethyl)dibenzo(b,f)thiepin-10-yl)-4-methyl-, (Z)-2-butenedioate (1:2)
RN: 77795-57-4
InChIKey: KIHWMORIMNJWAP-LVEZLNDCSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H20-F4-N2-S.2C4-H4-O4

Molecular Weight

  • 628.5932
 
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Names and Synonyms

  • Piperazine, 1-(10,11-dihydro-3-fluoro-8-(trifluoromethyl)dibenzo(b,f)thiepin-10-yl)-4-methyl-, (Z)-2-butenedioate (1:2)

Registry Numbers

CAS Registry Number

  • 77795-57-4

System Generated Number

  • 0077795574

Molecular Formulas

Molecular Formula

  • C20-H20-F4-N2-S.2C4-H4-O4

Molecular Formula Fragments

  • C20-H20-F4-N2-S
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C20H20F4N2S.2C4H4O4/c1-25-6-8-26(9-7-25)17-10-13-2-4-15(21)12-19(13)27-18-5-3-14(11-16(17)18)20(22,23)24;2*5-3(6)1-2-4(7)8/h2-5,11-12,17H,6-10H2,1H3;2*1-2H,(H,5,6)(H,7,8)/b;2*2-1+

InChIKey

KIHWMORIMNJWAP-LVEZLNDCSA-N

Smiles

CN1CCN(CC1)C2c3c(ccc(c3)C(F)(F)F)Sc4c(ccc(c4)F)C2.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 82450ug/kg (82.45mg/kg) BEHAVIORAL: ATAXIA Collection of Czechoslovak Chemical Communications. Vol. 46, Pg. 118, 1981.