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Substance Name: Piperazine, 1-(8-chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-4-(2-(1,3-dioxolan-2-yl)ethyl)-, (Z)-2-butenedioate (1:1)
RN: 39890-02-3
InChIKey: YGBWAFMXWNKYQM-WLHGVMLRSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C23-H27-Cl-N2-O2-S.C4-H4-O4

Molecular Weight

  • 547.0689
 
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Names and Synonyms

  • Piperazine, 1-(8-chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-4-(2-(1,3-dioxolan-2-yl)ethyl)-, (Z)-2-butenedioate (1:1)

Registry Numbers

CAS Registry Number

  • 39890-02-3

System Generated Number

  • 0039890023

Molecular Formulas

Molecular Formula

  • C23-H27-Cl-N2-O2-S.C4-H4-O4

Molecular Formula Fragments

  • C23-H27-Cl-N2-O2-S
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C23H27ClN2O2S.C4H4O4/c24-18-5-6-22-19(16-18)20(15-17-3-1-2-4-21(17)29-22)26-11-9-25(10-12-26)8-7-23-27-13-14-28-23;5-3(6)1-2-4(7)8/h1-6,16,20,23H,7-15H2;1-2H,(H,5,6)(H,7,8)/b;2-1+

InChIKey

YGBWAFMXWNKYQM-WLHGVMLRSA-N

Smiles

c1ccc2c(c1)CC(c3cc(ccc3S2)Cl)N4CCN(CC4)CCC5OCCO5.C(=C/C(=O)O)\C(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 292mg/kg (292mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) Collection of Czechoslovak Chemical Communications. Vol. 39, Pg. 3153, 1974.