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Substance Name: Dibenzo(b,f)thiepin-2-ol, 10,11-dihydro-7-fluoro-11-(4-methyl-1-piperazinyl)-, (Z)-2-butenedioate (1:1) (salt)
RN: 70932-12-6
InChIKey: RCFISEQFPYVFJK-BTJKTKAUSA-L

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C19-H21-F-N2-O-S.C4-H4-O4

Molecular Weight

  • 458.508
 
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Names and Synonyms

Synonym

  • 7-Fluoro-2-hydroxy-11-(4-methylpiperazino)-10,11-dihydrodibenzo(b,f)thiepin maleate

Systematic Name

  • Dibenzo(b,f)thiepin-2-ol, 10,11-dihydro-7-fluoro-11-(4-methyl-1-piperazinyl)-, (Z)-2-butenedioate (1:1) (salt)

Registry Numbers

CAS Registry Number

  • 70932-12-6

System Generated Number

  • 0070932126

Molecular Formulas

Molecular Formula

  • C19-H21-F-N2-O-S.C4-H4-O4

Molecular Formula Fragments

  • C19-H21-F-N2-O-S
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C19H21FN2OS.C4H4O4/c1-21-6-8-22(9-7-21)17-10-13-2-3-14(20)11-19(13)24-18-5-4-15(23)12-16(17)18;5-3(6)1-2-4(7)8/h2-5,11-12,17,23H,6-10H2,1H3;1-2H,(H,5,6)(H,7,8)/p-2/b;2-1-

InChIKey

RCFISEQFPYVFJK-BTJKTKAUSA-L

Smiles

c12[C@@H](N3CCN(C)CC3)Cc3c(cc(F)cc3)Sc1ccc(O)c2.C(=C/C(=O)[O-])\C(=O)[O-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 214mg/kg (214mg/kg) BEHAVIORAL: ATAXIA Collection of Czechoslovak Chemical Communications. Vol. 47, Pg. 1382, 1982.