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Substance Name: Piperazine, 1-(8-chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-4-(4-pyridinyl)-, (Z)-2-butenedioate (1:2)
RN: 55326-13-1
InChIKey: MPISQWXKEXKDRM-LVEZLNDCSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C23-H22-Cl-N3-S.2C4-H4-O4

Molecular Weight

  • 640.11
 
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Names and Synonyms

Synonym

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

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 55326-13-1

System Generated Number

  • 0055326131

Molecular Formulas

Molecular Formula

  • C23-H22-Cl-N3-S.2C4-H4-O4

Molecular Formula Fragments

  • C23-H22-Cl-N3-S
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C23H22ClN3S.2C4H4O4/c24-18-5-6-23-20(16-18)21(15-17-3-1-2-4-22(17)28-23)27-13-11-26(12-14-27)19-7-9-25-10-8-19;2*5-3(6)1-2-4(7)8/h1-10,16,21H,11-15H2;2*1-2H,(H,5,6)(H,7,8)/b;2*2-1+

InChIKey

MPISQWXKEXKDRM-LVEZLNDCSA-N

Smiles

c1cc2c(cc1)Sc3c(cc(cc3)Cl)C(C2)N4CCN(CC4)c5ccncc5.C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 377mg/kg (377mg/kg)   Collection of Czechoslovak Chemical Communications. Vol. 40, Pg. 3386, 1975.