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Substance Name: Piperazine, 1-(10,11-dihydro-8-ethoxy-3-fluorodibenzo(b,f)thiepin-10-yl)-4-methyl-, (Z)-2-butenedioate (1:1)
RN: 70931-67-8
InChIKey: MLPJOBHMKULVBQ-WLHGVMLRSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H25-F-N2-O-S.C4-H4-O4

Molecular Weight

  • 488.5771
 
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Names and Synonyms

Synonyms

  • 2-Ethoxy-7-fluoro-11-(4-methylpiperazino)-10,11-dihydrodibenzo(b,f)thiepin maleate
  • 8-Ethoxy-3-fluoro-10-(4-methylpiperazino)-10,11-dihydrodibenzo(b,f)thiepin maleate
  • Compound 12354

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 70931-67-8

System Generated Number

  • 0070931678

Molecular Formulas

Molecular Formula

  • C21-H25-F-N2-O-S.C4-H4-O4

Molecular Formula Fragments

  • C21-H25-F-N2-O-S
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C21H25FN2OS.C4H4O4/c1-3-25-17-6-7-20-18(14-17)19(24-10-8-23(2)9-11-24)12-15-4-5-16(22)13-21(15)26-20;5-3(6)1-2-4(7)8/h4-7,13-14,19H,3,8-12H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+

InChIKey

MLPJOBHMKULVBQ-WLHGVMLRSA-N

Smiles

CCOc1ccc2c(c1)C(Cc3ccc(cc3S2)F)N4CCN(CC4)C.C(=C/C(=O)O)\C(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 91mg/kg (91mg/kg)   United States Patent Document. Vol. #4243805,