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Substance Name: 1-Piperazineethanol, 4-(8-chloro-10,11-dihydro-7-fluorodibenzo(b,f)thiepin-10-yl)-, 1-oxide, hydrochloride, hydrate (2:4:1)
RN: 60811-15-6
InChIKey: LHYMLBYARBXVCF-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H22-Cl-F-N2-O2-S.2Cl-H.1/2H2-O

Molecular Weight

  • 481.8446
 
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Names and Synonyms

  • 1-Piperazineethanol, 4-(8-chloro-10,11-dihydro-7-fluorodibenzo(b,f)thiepin-10-yl)-, 1-oxide, hydrochloride, hydrate (2:4:1)

Registry Numbers

CAS Registry Number

  • 60811-15-6

System Generated Number

  • 0060811156

Molecular Formulas

Molecular Formula

  • C20-H22-Cl-F-N2-O2-S.2Cl-H.1/2H2-O

Molecular Formula Fragments

  • C20-H22-Cl-F-N2-O2-S
  • Cl-H
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C20H22ClFN2O2S.2ClH/c21-16-12-15-18(23-5-7-24(26,8-6-23)9-10-25)11-14-3-1-2-4-19(14)27-20(15)13-17(16)22;;/h1-4,12-13,18,25H,5-11H2;2*1H

InChIKey

LHYMLBYARBXVCF-UHFFFAOYSA-N

Smiles

c1ccc2c(c1)CC(c3cc(c(cc3S2)F)Cl)N4CCN(=O)(CC4)CCO.Cl.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 528mg/kg (528mg/kg) PERIPHERAL NERVE AND SENSATION: PARESTHESIS

BEHAVIORAL: MUSCLE CONTRACTION OR SPASTICITY)

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)
Collection of Czechoslovak Chemical Communications. Vol. 41, Pg. 881, 1976.