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Substance Name: Dehydroclothepin hydrogen maleate
RN: 22487-46-3
InChIKey: CKDSZLNXVFSZKU-WLHGVMLRSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C19-H19-Cl-N2-S.C4-H4-O4

Molecular Weight

  • 458.964
 
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Names and Synonyms

Results Name

  • Dehydroclothepin hydrogen maleate

Synonyms

  • 8-Chloro-10-(4-methylpiperazino)dibenzo(b,f)thiepin hydrogen maleate
  • Dehydroclothepin hydrogen maleate

Systematic Name

  • Piperazine, 1-(8-chlorodibenzo(b,f)thiepin-10-yl)-4-methyl-, maleate (1:1)

Registry Numbers

CAS Registry Number

  • 22487-46-3

System Generated Number

  • 0022487463

Molecular Formulas

Molecular Formula

  • C19-H19-Cl-N2-S.C4-H4-O4

Molecular Formula Fragments

  • C19-H19-Cl-N2-S
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C19H19ClN2S.C4H4O4/c1-21-8-10-22(11-9-21)17-12-14-4-2-3-5-18(14)23-19-7-6-15(20)13-16(17)19;5-3(6)1-2-4(7)8/h2-7,12-13H,8-11H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+

InChIKey

CKDSZLNXVFSZKU-WLHGVMLRSA-N

Smiles

C(\C=C\C(O)=O)(=O)O.N1(CCN(CC1)C)C1=Cc2c(Sc3c1cc(cc3)Cl)cccc2

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 45500ug/kg (45.5mg/kg) BEHAVIORAL: ATAXIA Collection of Czechoslovak Chemical Communications. Vol. 35, Pg. 3721, 1970.
mouse LD50 oral 59mg/kg (59mg/kg) BEHAVIORAL: ATAXIA Collection of Czechoslovak Chemical Communications. Vol. 35, Pg. 3721, 1970.
rat LD50 oral 115mg/kg (115mg/kg)   Collection of Czechoslovak Chemical Communications. Vol. 35, Pg. 3721, 1970.