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Substance Name: 1-Piperazineethanol, 4-(10,11-dihydro-3-fluoro-8-(1-methylethyl)dibenzo(b,f)thiepin-10-yl)-, 1-oxide, dihydrochloride, hemihydrate
RN: 106754-69-2
InChIKey: FTLJRMHHGNSLGM-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C23-H29-F-N2-O2-S.2Cl-H.1/2H2-O

Molecular Weight

  • 489.4799
 
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Names and Synonyms

  • 1-Piperazineethanol, 4-(10,11-dihydro-3-fluoro-8-(1-methylethyl)dibenzo(b,f)thiepin-10-yl)-, 1-oxide, dihydrochloride, hemihydrate

Registry Numbers

CAS Registry Number

  • 106754-69-2

System Generated Number

  • 0106754692

Molecular Formulas

Molecular Formula

  • C23-H29-F-N2-O2-S.2Cl-H.1/2H2-O

Molecular Formula Fragments

  • C23-H29-F-N2-O2-S
  • Cl-H
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C23H29FN2O2S.2ClH/c1-16(2)17-4-6-22-20(13-17)21(14-18-3-5-19(24)15-23(18)29-22)25-7-9-26(28,10-8-25)11-12-27;;/h3-6,13,15-16,21,27H,7-12,14H2,1-2H3;2*1H

InChIKey

FTLJRMHHGNSLGM-UHFFFAOYSA-N

Smiles

CC(C)c1ccc2c(c1)C(Cc3ccc(cc3S2)F)N4CC[N+](CC4)(CCO)[O-].Cl.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 203mg/kg (203mg/kg)   Collection of Czechoslovak Chemical Communications. Vol. 51, Pg. 698, 1986.