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Substance Name: Piperazine, 1-(8-tert-butyl-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-4-methyl-, maleate, hydrate (2:4:1)
RN: 16174-79-1
InChIKey: HKBFOSFGACPPSI-LVEZLNDCSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C23-H30-N2-S.2C4-H4-O4.1/2H2-O

Molecular Weight

  • 598.713
 
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Names and Synonyms

Synonym

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

Systematic Name

  • Piperazine, 1-(8-tert-butyl-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-4-methyl-, maleate, hydrate (2:4:1)

Registry Numbers

CAS Registry Number

  • 16174-79-1

System Generated Number

  • 0016174791

Molecular Formulas

Molecular Formula

  • C23-H30-N2-S.2C4-H4-O4.1/2H2-O

Molecular Formula Fragments

  • C23-H30-N2-S
  • C4-H4-O4
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C23H30N2S.2C4H4O4/c1-23(2,3)18-9-10-22-19(16-18)20(25-13-11-24(4)12-14-25)15-17-7-5-6-8-21(17)26-22;2*5-3(6)1-2-4(7)8/h5-10,16,20H,11-15H2,1-4H3;2*1-2H,(H,5,6)(H,7,8)/b;2*2-1+

InChIKey

HKBFOSFGACPPSI-LVEZLNDCSA-N

Smiles

C(=O)(O)\C=C\C(=O)O.N1(CCN(CC1)C)[C@@H]1Cc2c(Sc3c1cc(cc3)C(C)(C)C)cccc2.C(=O)(O)\C=C\C(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 46mg/kg (46mg/kg) BEHAVIORAL: ATAXIA Collection of Czechoslovak Chemical Communications. Vol. 33, Pg. 1895, 1968.