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Substance Name: Piperazine, 1-(10,11-dihydro-3-fluoro-8-(1-methylethyl)dibenzo(b,f)thiepin-10-yl)-, S-oxide, dimethanesulfonate
RN: 106754-67-0
InChIKey: HWPVOIDZQPCYIN-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H25-F-N2-O-S.2C-H4-O3-S

Molecular Weight

  • 564.7167
 
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Names and Synonyms

  • Piperazine, 1-(10,11-dihydro-3-fluoro-8-(1-methylethyl)dibenzo(b,f)thiepin-10-yl)-, S-oxide, dimethanesulfonate

Registry Numbers

CAS Registry Number

  • 106754-67-0

System Generated Number

  • 0106754670

Molecular Formulas

Molecular Formula

  • C21-H25-F-N2-O-S.2C-H4-O3-S

Molecular Formula Fragments

  • C-H4-O3-S
  • C21-H25-F-N2-O-S
  • COMPONENT

Structure Descriptors

InChI

1S/C21H25FN2OS.2CH4O3S/c1-14(2)15-4-6-20-18(11-15)19(24-9-7-23-8-10-24)12-16-3-5-17(22)13-21(16)26(20)25;2*1-5(2,3)4/h3-6,11,13-14,19,23H,7-10,12H2,1-2H3;2*1H3,(H,2,3,4)

InChIKey

HWPVOIDZQPCYIN-UHFFFAOYSA-N

Smiles

CC(C)c1ccc2c(c1)C(Cc3ccc(cc3S2=O)F)N4CCNCC4.CS(=O)(=O)O.CS(=O)(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 136mg/kg (136mg/kg)   Collection of Czechoslovak Chemical Communications. Vol. 51, Pg. 698, 1986.