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Substance Name: Dibenzo(b,f)thiepin, 10,11-dihydro-10-(4-methylpiperazino)-8-nitro-, maleate
RN: 20906-52-9
InChIKey: FIFASUIQVWVKCG-BTJKTKAUSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C19-H21-N3-O2-S.C4-H4-O4

Molecular Weight

  • 471.531
 
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Names and Synonyms

Synonyms

  • 8-Nitro-10-(4-methylpiperazino)-10,11-dihydrodibenzo(b,f)thiepin maleate
  • Nitrothepin maleate
  • Nitrothiepine maleate
  • Piperazine, 1-(10,11-dihydro-8-nitrodibenzo(b,f)thiepin-10-yl)-4-methyl-, hydrogen maleate

Systematic Name

  • Dibenzo(b,f)thiepin, 10,11-dihydro-10-(4-methylpiperazino)-8-nitro-, maleate

Registry Numbers

CAS Registry Number

  • 20906-52-9

System Generated Number

  • 0020906529

Molecular Formulas

Molecular Formula

  • C19-H21-N3-O2-S.C4-H4-O4

Molecular Formula Fragments

  • C19-H21-N3-O2-S
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C19H21N3O2S.C4H4O4/c1-20-8-10-21(11-9-20)17-12-14-4-2-3-5-18(14)25-19-7-6-15(22(23)24)13-16(17)19;5-3(6)1-2-4(7)8/h2-7,13,17H,8-12H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1-

InChIKey

FIFASUIQVWVKCG-BTJKTKAUSA-N

Smiles

c12[C@@H]([NH+]3CCN(C)CC3)Cc3ccccc3Sc1ccc([N+](=O)[O-])c2.C(=C/C(=O)[O-])\C(O)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 86mg/kg (86mg/kg)   Collection of Czechoslovak Chemical Communications. Vol. 33, Pg. 2666, 1968.