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Substance Name: Piperazine, 1-(10,11-dihydro-3,7-dimethoxydibenzo(b,f)thiepin-10-yl)-4-methyl-, (Z)-2-butenedioate (1:1)
RN: 80709-63-3
InChIKey: LQUMAVLNXCTQQV-WLHGVMLRSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H26-N2-O2-S.C4-H4-O4

Molecular Weight

  • 486.586
 
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Names and Synonyms

Synonyms

  • 1-(10,11-Dihydro-3,7-dimethoxydibenzo(b,f)thiepin-10-yl)-4-methylpiperazine maleate
  • 3,7-Dimethoxy-10-(4-methylpiperazino)-10,11-dihydrodibenzo(b,f)thiepin maleate

Systematic Name

  • Piperazine, 1-(10,11-dihydro-3,7-dimethoxydibenzo(b,f)thiepin-10-yl)-4-methyl-, (Z)-2-butenedioate (1:1)

Registry Numbers

CAS Registry Number

  • 80709-63-3

System Generated Number

  • 0080709633

Molecular Formulas

Molecular Formula

  • C21-H26-N2-O2-S.C4-H4-O4

Molecular Formula Fragments

  • C21-H26-N2-O2-S
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C21H26N2O2S.C4H4O4/c1-22-8-10-23(11-9-22)19-12-15-4-5-16(24-2)13-20(15)26-21-14-17(25-3)6-7-18(19)21;5-3(6)1-2-4(7)8/h4-7,13-14,19H,8-12H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b;2-1+

InChIKey

LQUMAVLNXCTQQV-WLHGVMLRSA-N

Smiles

CN1CCN(CC1)C2Cc3ccc(cc3Sc4c2ccc(c4)OC)OC.C(=C/C(=O)O)\C(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 40mg/kg (40mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) Collection of Czechoslovak Chemical Communications. Vol. 46, Pg. 1808, 1981.