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Substance Name: Piperazine, 1-(6-methoxydibenzo(b,f)thiepin-10-yl)-4-methyl-, (Z)-2-butenedioate (1:1)
RN: 58722-26-2
InChIKey: QDWIZGMQYMSRTE-WLHGVMLRSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H22-N2-O-S.C4-H4-O4

Molecular Weight

  • 454.5444
 
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Names and Synonyms

Synonyms

  • 1-(6-Methoxydibenzo(b,f)thiepin-10-yl)-4-methylpiperazine (Z)-2-butenedioate
  • 6-Methoxy-10-(4-methylpiperazino)dibenzo(b,f)thiepin maleate

Systematic Name

  • Piperazine, 1-(6-methoxydibenzo(b,f)thiepin-10-yl)-4-methyl-, (Z)-2-butenedioate (1:1)

Registry Numbers

CAS Registry Number

  • 58722-26-2

System Generated Number

  • 0058722262

Molecular Formulas

Molecular Formula

  • C20-H22-N2-O-S.C4-H4-O4

Molecular Formula Fragments

  • C20-H22-N2-O-S
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C20H22N2OS.C4H4O4/c1-21-10-12-22(13-11-21)17-14-15-6-3-4-9-19(15)24-20-16(17)7-5-8-18(20)23-2;5-3(6)1-2-4(7)8/h3-9,14H,10-13H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+

InChIKey

QDWIZGMQYMSRTE-WLHGVMLRSA-N

Smiles

CN1CCN(CC1)C2=Cc3ccccc3Sc4c2cccc4OC.C(=C/C(=O)O)\C(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 483mg/kg (483mg/kg)   Collection of Czechoslovak Chemical Communications. Vol. 40, Pg. 2667, 1975.