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Substance Name: Piperazine, 1-(8-chloro-10,11-dihydro-3-methoxydibenzo(b,f)thiepin-10-yl)-4-methyl-, (Z)-2-butenedioate (1:2)
RN: 56096-67-4
InChIKey: YGXMWYUUESEHJS-LVEZLNDCSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H23-Cl-N2-O-S.2C4-H4-O4

Molecular Weight

  • 607.0769
 
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Names and Synonyms

Synonym

  • 1-(8-Chloro-10,11-dihydro-3-methoxydibenzo(b,f)thiepin-10-yl)-4-methylpiperazine dimaleate

Systematic Name

  • Piperazine, 1-(8-chloro-10,11-dihydro-3-methoxydibenzo(b,f)thiepin-10-yl)-4-methyl-, (Z)-2-butenedioate (1:2)

Registry Numbers

CAS Registry Number

  • 56096-67-4

System Generated Number

  • 0056096674

Molecular Formulas

Molecular Formula

  • C20-H23-Cl-N2-O-S.2C4-H4-O4

Molecular Formula Fragments

  • C20-H23-Cl-N2-O-S
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C20H23ClN2OS.2C4H4O4/c1-22-7-9-23(10-8-22)18-11-14-3-5-16(24-2)13-20(14)25-19-6-4-15(21)12-17(18)19;2*5-3(6)1-2-4(7)8/h3-6,12-13,18H,7-11H2,1-2H3;2*1-2H,(H,5,6)(H,7,8)/b;2*2-1+

InChIKey

YGXMWYUUESEHJS-LVEZLNDCSA-N

Smiles

CN1CCN(CC1)C2c3c(ccc(c3)Cl)Sc4c(ccc(c4)OC)C2.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 300mg/kg (300mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) Collection of Czechoslovak Chemical Communications. Vol. 39, Pg. 3548, 1974.