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Substance Name: Piperazine, 1-(8-chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-4-(2-propenyl)-, (Z)-2-butenedioate (1:1)
RN: 34661-54-6
InChIKey: PGTASJIBPKOXQI-WLHGVMLRSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H23-Cl-N2-S.C4-H4-O4

Molecular Weight

  • 487.017
 
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Names and Synonyms

Synonyms

  • 1-(8-Chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-4-(2-propenyl)piperazine maleate
  • 8-Chloro-10-(4-allylpiperazino)-10,11-dihydrodibenzo(b,f)thiepin maleate

Systematic Name

  • Piperazine, 1-(8-chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-4-(2-propenyl)-, (Z)-2-butenedioate (1:1)

Registry Numbers

CAS Registry Number

  • 34661-54-6

System Generated Number

  • 0034661546

Molecular Formulas

Molecular Formula

  • C21-H23-Cl-N2-S.C4-H4-O4

Molecular Formula Fragments

  • C21-H23-Cl-N2-S
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C21H23ClN2S.C4H4O4/c1-2-9-23-10-12-24(13-11-23)19-14-16-5-3-4-6-20(16)25-21-8-7-17(22)15-18(19)21;5-3(6)1-2-4(7)8/h2-8,15,19H,1,9-14H2;1-2H,(H,5,6)(H,7,8)/b;2-1+

InChIKey

PGTASJIBPKOXQI-WLHGVMLRSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 289mg/kg (289mg/kg) BEHAVIORAL: ATAXIA Collection of Czechoslovak Chemical Communications. Vol. 36, Pg. 2226, 1971.