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Substance Name: Piperazine, 1-(8-chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-4-(2-(4-methoxyphenyl)ethyl)-,(Z)-2-butenedioate (1:1)
RN: 59698-61-2
InChIKey: KSZLOFRYKSOOCA-WLHGVMLRSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C27-H29-Cl-N2-O-S.C4-H4-O4

Molecular Weight

  • 581.1297
 
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Names and Synonyms

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

Registry Numbers

CAS Registry Number

  • 59698-61-2

System Generated Number

  • 0059698612

Molecular Formulas

Molecular Formula

  • C27-H29-Cl-N2-O-S.C4-H4-O4

Molecular Formula Fragments

  • C27-H29-Cl-N2-O-S
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C27H29ClN2OS.C4H4O4/c1-31-23-9-6-20(7-10-23)12-13-29-14-16-30(17-15-29)25-18-21-4-2-3-5-26(21)32-27-11-8-22(28)19-24(25)27;5-3(6)1-2-4(7)8/h2-11,19,25H,12-18H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+

InChIKey

KSZLOFRYKSOOCA-WLHGVMLRSA-N

Smiles

COc1ccc(cc1)CCN2CCN(CC2)C3Cc4ccccc4Sc5c3cc(cc5)Cl.C(=C/C(=O)O)\C(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 1500mg/kg (1500mg/kg)   Collection of Czechoslovak Chemical Communications. Vol. 40, Pg. 3386, 1975.