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Substance Name: 1-Piperazineethanol, 4-(3-dibenzo(b,e)thiepin-11(6H)-ylidenepropyl)-, acetate (ester), (E)-, (Z)-2-butenedioate (1:2)
RN: 93665-38-4
InChIKey: XQFNKUIFCMPXTJ-WWGRZUNQSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C25-H30-N2-O2-S.2C4-H4-O4

Molecular Weight

  • 654.7332
 
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Names and Synonyms

Synonym

  • (E)-4-(3-Dibenzo(b,e)thiepin-11(6H)-ylidenepropyl)-1-piperazineethanol acetate maleate (1:2)

Systematic Name

  • 1-Piperazineethanol, 4-(3-dibenzo(b,e)thiepin-11(6H)-ylidenepropyl)-, acetate (ester), (E)-, (Z)-2-butenedioate (1:2)

Registry Numbers

CAS Registry Number

  • 93665-38-4

System Generated Number

  • 0093665384

Molecular Formulas

Molecular Formula

  • C25-H30-N2-O2-S.2C4-H4-O4

Molecular Formula Fragments

  • C25-H30-N2-O2-S
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C25H30N2O2S.2C4H4O4/c1-20(28)29-18-17-27-15-13-26(14-16-27)12-6-10-23-22-8-3-2-7-21(22)19-30-25-11-5-4-9-24(23)25;2*5-3(6)1-2-4(7)8/h2-5,7-11H,6,12-19H2,1H3;2*1-2H,(H,5,6)(H,7,8)/b23-10-;2*2-1-

InChIKey

XQFNKUIFCMPXTJ-WWGRZUNQSA-N

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 30mg/kg (30mg/kg) SENSE ORGANS AND SPECIAL SENSES: PTOSIS: EYE

BEHAVIORAL: ATAXIA

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD
Collection of Czechoslovak Chemical Communications. Vol. 49, Pg. 1816, 1984.