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Substance Name: 1-Piperazineethanol, 4-(10,11-dihydro-2-fluoro-8-(1-methylethyl)dibenzo(b,f)thiepin-10-yl)-, dimethanesulfonate (salt)
RN: 91528-32-4
InChIKey: KQEBQOCFRDLRBW-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C23-H29-F-N2-O-S.2C-H4-O3-S

Molecular Weight

  • 592.7703
 
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Names and Synonyms

  • 1-Piperazineethanol, 4-(10,11-dihydro-2-fluoro-8-(1-methylethyl)dibenzo(b,f)thiepin-10-yl)-, dimethanesulfonate (salt)

Registry Numbers

CAS Registry Number

  • 91528-32-4

System Generated Number

  • 0091528324

Molecular Formulas

Molecular Formula

  • C23-H29-F-N2-O-S.2C-H4-O3-S

Molecular Formula Fragments

  • C-H4-O3-S
  • C23-H29-F-N2-O-S
  • COMPONENT

Structure Descriptors

InChI

1S/C23H29FN2OS.2CH4O3S/c1-16(2)17-3-5-23-20(14-17)21(26-9-7-25(8-10-26)11-12-27)15-18-13-19(24)4-6-22(18)28-23;2*1-5(2,3)4/h3-6,13-14,16,21,27H,7-12,15H2,1-2H3;2*1H3,(H,2,3,4)

InChIKey

KQEBQOCFRDLRBW-UHFFFAOYSA-N

Smiles

CC(C)c1ccc2Sc3ccc(F)cc3CC(N4CCN(CCO)CC4)c2c1.CS(=O)(=O)O.CS(=O)(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 179mg/kg (179mg/kg) BEHAVIORAL: ATAXIA Collection of Czechoslovak Chemical Communications. Vol. 49, Pg. 86, 1984.