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Substance Name: 1-Piperazineethanol, 4-(2-chloro-10,11-dihydro-6-fluorodibenzo(b,f)thiepin-10-yl)-, dimethanesulfonate (salt)
RN: 73129-46-1
InChIKey: WHOPYYRBCPBTBU-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H22-Cl-F-N2-O-S.2C-H4-O3-S

Molecular Weight

  • 585.135
 
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Names and Synonyms

Synonym

  • VUFB-12492

Systematic Name

  • 1-Piperazineethanol, 4-(2-chloro-10,11-dihydro-6-fluorodibenzo(b,f)thiepin-10-yl)-, dimethanesulfonate (salt)

Registry Numbers

CAS Registry Number

  • 73129-46-1

System Generated Number

  • 0073129461

Molecular Formulas

Molecular Formula

  • C20-H22-Cl-F-N2-O-S.2C-H4-O3-S

Molecular Formula Fragments

  • C-H4-O3-S
  • C20-H22-Cl-F-N2-O-S
  • COMPONENT

Structure Descriptors

InChI

1S/C20H22ClFN2OS.2CH4O3S/c21-15-4-5-19-14(12-15)13-18(16-2-1-3-17(22)20(16)26-19)24-8-6-23(7-9-24)10-11-25;2*1-5(2,3)4/h1-5,12,18,25H,6-11,13H2;2*1H3,(H,2,3,4)

InChIKey

WHOPYYRBCPBTBU-UHFFFAOYSA-N

Smiles

CS(=O)(=O)O.CS(=O)(=O)O.c1cc2c(c(c1)F)Sc3ccc(cc3CC2N4CCN(CC4)CCO)Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 186mg/kg (186mg/kg) BEHAVIORAL: ATAXIA Collection of Czechoslovak Chemical Communications. Vol. 44, Pg. 2139, 1979.