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Substance Name: Piperazine, 1-(10,11-dihydro-7,8-dimethoxydibenzo(b,f)thiepin-10-yl)-4-methyl-, (Z)-2-butenedioate, hydrate (1:1:1)
RN: 80709-64-4
InChIKey: NRCWWPPJMPEMSU-WLHGVMLRSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H26-N2-O2-S.C4-H4-O4.H2-O

Molecular Weight

  • 486.586
 
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Names and Synonyms

Synonyms

  • 1-(10,11-Dihydro-7,8-dimethoxydibenzo(b,f)thiepin-10-yl)-4-methylpiperazine maleate hydrate
  • 3,7-Dimethoxy-10-(4-methylpiperazino)-10,11-dihydrodibenzo(b,f)thiepin maleate monohydrate

Systematic Name

  • Piperazine, 1-(10,11-dihydro-7,8-dimethoxydibenzo(b,f)thiepin-10-yl)-4-methyl-, (Z)-2-butenedioate, hydrate (1:1:1)

Registry Numbers

CAS Registry Number

  • 80709-64-4

System Generated Number

  • 0080709644

Molecular Formulas

Molecular Formula

  • C21-H26-N2-O2-S.C4-H4-O4.H2-O

Molecular Formula Fragments

  • C21-H26-N2-O2-S
  • C4-H4-O4
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

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

InChIKey

NRCWWPPJMPEMSU-WLHGVMLRSA-N

Smiles

CN1CCN(CC1)C2Cc3ccccc3Sc4c2cc(c(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 31200ug/kg (31.2mg/kg) BEHAVIORAL: ATAXIA

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)
Collection of Czechoslovak Chemical Communications. Vol. 46, Pg. 1808, 1981.