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Substance Name: Piperazine, 1-(8-chloro-7-fluoro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-4-methyl-, (Z)-2-butenedioate (1:1)
RN: 60836-85-3
InChIKey: OVUGOQSPLAGMLH-WLHGVMLRSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C19-H20-Cl-F-N2-S.C4-H4-O4

Molecular Weight

  • 478.9696
 
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Names and Synonyms

Synonym

  • 8-Chloro-7-fluoro-10-(4-methylpiperazino)-10,11-dihydrodibenzo(b,f)thiepin maleate

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 60836-85-3

System Generated Number

  • 0060836853

Molecular Formulas

Molecular Formula

  • C19-H20-Cl-F-N2-S.C4-H4-O4

Molecular Formula Fragments

  • C19-H20-Cl-F-N2-S
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C19H20ClFN2S.C4H4O4/c1-22-6-8-23(9-7-22)17-10-13-4-2-3-5-18(13)24-19-12-16(21)15(20)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

OVUGOQSPLAGMLH-WLHGVMLRSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD oral > 1320mg/kg (1320mg/kg)   Collection of Czechoslovak Chemical Communications. Vol. 41, Pg. 881, 1976.