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Substance Name: Piperazine, 1-(10,11-dihydro-8-(methylsulfinyl)dibenzo(b,f)thiepin-10-yl)-4-methyl-, S,4-dioxide, hydrochloride, hydrate (1:1:1)
RN: 41932-10-9
InChIKey: ZERVUWDSZQFLSE-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H24-N2-O3-S2.Cl-H.H2-O

Molecular Weight

  • 441.0135
 
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Names and Synonyms

  • Piperazine, 1-(10,11-dihydro-8-(methylsulfinyl)dibenzo(b,f)thiepin-10-yl)-4-methyl-, S,4-dioxide, hydrochloride, hydrate (1:1:1)

Registry Numbers

CAS Registry Number

  • 41932-10-9

System Generated Number

  • 0041932109

Molecular Formulas

Molecular Formula

  • C20-H24-N2-O3-S2.Cl-H.H2-O

Molecular Formula Fragments

  • C20-H24-N2-O3-S2
  • Cl-H
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C20H24N2O3S2.ClH/c1-22(23)11-9-21(10-12-22)18-13-15-5-3-4-6-19(15)27(25)20-8-7-16(26(2)24)14-17(18)20;/h3-8,14,18H,9-13H2,1-2H3;1H

InChIKey

ZERVUWDSZQFLSE-UHFFFAOYSA-N

Smiles

C[N+]1(CCN(CC1)C2Cc3ccccc3S(=O)c4c2cc(cc4)S(=O)C)[O-].Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 210mg/kg (210mg/kg) BEHAVIORAL: ATAXIA Collection of Czechoslovak Chemical Communications. Vol. 38, Pg. 599, 1973.