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Substance Name: Dibenzo(b,f)thiepin-2-carboxaldehyde, 10,11-dihydro-11-(4-methyl-1-piperazinyl)-, (Z)-2-butenedioate (1:1)
RN: 55301-82-1
InChIKey: ZWBNPKLHHTZPTC-BTJKTKAUSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H22-N2-O-S.C4-H4-O4

Molecular Weight

  • 454.544
 
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Names and Synonyms

Synonyms

  • 10,11-Dihydro-11-(4-methyl-1-piperazinyl)dibenzo(b,f)thiepin-2-carboxaldehyde maleate
  • 8-Formyl-10-(4-methylpiperazino)-10,11-dihydrodibenzo(b,f)thiepin maleate

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 55301-82-1

System Generated Number

  • 0055301821

Molecular Formulas

Molecular Formula

  • C20-H22-N2-O-S.C4-H4-O4

Molecular Formula Fragments

  • C20-H22-N2-O-S
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C20H22N2OS.C4H4O4/c1-21-8-10-22(11-9-21)18-13-16-4-2-3-5-19(16)24-20-7-6-15(14-23)12-17(18)20;5-3(6)1-2-4(7)8/h2-7,12,14,18H,8-11,13H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1-

InChIKey

ZWBNPKLHHTZPTC-BTJKTKAUSA-N

Smiles

c12[C@@H]([NH+]3CCN(C)CC3)Cc3c(cccc3)Sc1ccc(C=O)c2.C(=C/C(=O)[O-])\C(O)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 41mg/kg (41mg/kg) BEHAVIORAL: ATAXIA Collection of Czechoslovak Chemical Communications. Vol. 39, Pg. 2099, 1974.