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Substance Name: Dibenzo(b,f)thiepin-2-sulfonamide, 10,11-dihydro-7-fluoro-11-(4-(2-hydroxyethyl)-1-piperazinyl)-N,N-dimethyl-, hydrochloride, hydrate (1:2:1)
RN: 85195-85-3
InChIKey: ZCYQHPCYZKJAFM-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H28-F-N3-O3-S2.2Cl-H.H2-O

Molecular Weight

  • 538.533
 
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Names and Synonyms

  • Dibenzo(b,f)thiepin-2-sulfonamide, 10,11-dihydro-7-fluoro-11-(4-(2-hydroxyethyl)-1-piperazinyl)-N,N-dimethyl-, hydrochloride, hydrate (1:2:1)

Registry Numbers

CAS Registry Number

  • 85195-85-3

System Generated Number

  • 0085195853

Molecular Formulas

Molecular Formula

  • C22-H28-F-N3-O3-S2.2Cl-H.H2-O

Molecular Formula Fragments

  • C22-H28-F-N3-O3-S2
  • Cl-H
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C22H28FN3O3S2.2ClH/c1-24(2)31(28,29)18-5-6-21-19(15-18)20(26-9-7-25(8-10-26)11-12-27)13-16-3-4-17(23)14-22(16)30-21;;/h3-6,14-15,20,27H,7-13H2,1-2H3;2*1H

InChIKey

ZCYQHPCYZKJAFM-UHFFFAOYSA-N

Smiles

S(c1cc2[C@@H](N3CCN(CC3)CCO)Cc3ccc(cc3Sc2cc1)F)(N(C)C)(=O)=O.Cl.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 143mg/kg (143mg/kg) BEHAVIORAL: ATAXIA Collection of Czechoslovak Chemical Communications. Vol. 48, Pg. 144, 1983.