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Substance Name: Piperazine, 1-(8-chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-4-(2-(1,3-dioxan-2-yl)ethyl)-, (Z)-2-butenedioate (1:1)
RN: 39890-00-1
InChIKey: OFCRMXIVZGRDEO-WLHGVMLRSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C24-H29-Cl-N2-O2-S.C4-H4-O4

Molecular Weight

  • 561.0957
 
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Names and Synonyms

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

Registry Numbers

CAS Registry Number

  • 39890-00-1

System Generated Number

  • 0039890001

Molecular Formulas

Molecular Formula

  • C24-H29-Cl-N2-O2-S.C4-H4-O4

Molecular Formula Fragments

  • C24-H29-Cl-N2-O2-S
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C24H29ClN2O2S.C4H4O4/c25-19-6-7-23-20(17-19)21(16-18-4-1-2-5-22(18)30-23)27-12-10-26(11-13-27)9-8-24-28-14-3-15-29-24;5-3(6)1-2-4(7)8/h1-2,4-7,17,21,24H,3,8-16H2;1-2H,(H,5,6)(H,7,8)/b;2-1+

InChIKey

OFCRMXIVZGRDEO-WLHGVMLRSA-N

Smiles

c1ccc2c(c1)CC(c3cc(ccc3S2)Cl)N4CCN(CC4)CCC5OCCCO5.C(=C/C(=O)O)\C(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 340mg/kg (340mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) Collection of Czechoslovak Chemical Communications. Vol. 39, Pg. 3153, 1974.