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Substance Name: Piperazine, 1-(8-chloro-10,11-dihydro-7-(trifluoromethyl)dibenzo(b,f)thiepin-10-yl)-4-methyl-,(Z)-2-butenedioate (1:1)
RN: 61150-21-8
InChIKey: WZODBIOMTBDSFC-WLHGVMLRSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H20-Cl-F3-N2-S.C4-H4-O4

Molecular Weight

  • 528.9766
 
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Names and Synonyms

Synonym

  • VUFB-10511

Systematic Name

  • Piperazine, 1-(8-chloro-10,11-dihydro-7-(trifluoromethyl)dibenzo(b,f)thiepin-10-yl)-4-methyl-,(Z)-2-butenedioate (1:1)

Registry Numbers

CAS Registry Number

  • 61150-21-8

System Generated Number

  • 0061150218

Molecular Formulas

Molecular Formula

  • C20-H20-Cl-F3-N2-S.C4-H4-O4

Molecular Formula Fragments

  • C20-H20-Cl-F3-N2-S
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C20H20ClF3N2S.C4H4O4/c1-25-6-8-26(9-7-25)17-10-13-4-2-3-5-18(13)27-19-12-15(20(22,23)24)16(21)11-14(17)19;5-3(6)1-2-4(7)8/h2-5,11-12,17H,6-10H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+

InChIKey

WZODBIOMTBDSFC-WLHGVMLRSA-N

Smiles

CN1CCN(CC1)C2Cc3ccccc3Sc4c2cc(c(c4)C(F)(F)F)Cl.C(=C/C(=O)O)\C(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LDLo oral 640mg/kg (640mg/kg) BEHAVIORAL: ATAXIA Collection of Czechoslovak Chemical Communications. Vol. 42, Pg. 1705, 1977.