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Substance Name: Piperidine, 4-(7-fluoro-2-((trifluoromethyl)thio)-11H-dibenz(b,e)(1,4)oxathiepin-11-yl)-1-methyl-, (Z)-2-butenedioate
RN: 83975-67-1
InChIKey: FKQCRRQRXMQQFY-WLHGVMLRSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H19-F4-N-O-S2.C4-H4-O4

Molecular Weight

  • 545.5717
 
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Names and Synonyms

  • Piperidine, 4-(7-fluoro-2-((trifluoromethyl)thio)-11H-dibenz(b,e)(1,4)oxathiepin-11-yl)-1-methyl-, (Z)-2-butenedioate

Registry Numbers

CAS Registry Number

  • 83975-67-1

System Generated Number

  • 0083975671

Molecular Formulas

Molecular Formula

  • C20-H19-F4-N-O-S2.C4-H4-O4

Molecular Formula Fragments

  • C20-H19-F4-N-O-S2
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C20H19F4NOS2.C4H4O4/c1-25-8-6-12(7-9-25)19-15-11-14(28-20(22,23)24)3-5-17(15)27-18-10-13(21)2-4-16(18)26-19;5-3(6)1-2-4(7)8/h2-5,10-12,19H,6-9H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+

InChIKey

FKQCRRQRXMQQFY-WLHGVMLRSA-N

Smiles

CN1CCC(CC1)C2c3cc(ccc3Sc4cc(ccc4O2)F)SC(F)(F)F.C(=C/C(=O)O)\C(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 429mg/kg (429mg/kg) BEHAVIORAL: ATAXIA Collection of Czechoslovak Chemical Communications. Vol. 47, Pg. 3114, 1982.