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Substance Name: Piperazine, 1-(10,11-dihydro-6-methoxydibenzo(b,f)thiepin-10-yl)-4-methyl-, S-oxide, monomethanesulfonate
RN: 58722-19-3
InChIKey: STQDHYPEALXQGJ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H24-N2-O2-S.C-H4-O3-S

Molecular Weight

  • 452.5932
 
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Names and Synonyms

Synonym

  • 6-Methoxy-10-(4-methylpiperazino)-10,11-dihydrodibenzo(b,f)thiepin 5-oxide methanesulfonate

Systematic Name

  • Piperazine, 1-(10,11-dihydro-6-methoxydibenzo(b,f)thiepin-10-yl)-4-methyl-, S-oxide, monomethanesulfonate

Registry Numbers

CAS Registry Number

  • 58722-19-3

System Generated Number

  • 0058722193

Molecular Formulas

Molecular Formula

  • C20-H24-N2-O2-S.C-H4-O3-S

Molecular Formula Fragments

  • C-H4-O3-S
  • C20-H24-N2-O2-S
  • COMPONENT

Structure Descriptors

InChI

1S/C20H24N2O2S.CH4O3S/c1-21-10-12-22(13-11-21)17-14-15-6-3-4-9-19(15)25(23)20-16(17)7-5-8-18(20)24-2;1-5(2,3)4/h3-9,17H,10-14H2,1-2H3;1H3,(H,2,3,4)

InChIKey

STQDHYPEALXQGJ-UHFFFAOYSA-N

Smiles

CN1CCN(CC1)C2Cc3ccccc3S(=O)c4c2cccc4OC.CS(=O)(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 78700ug/kg (78.7mg/kg)   Collection of Czechoslovak Chemical Communications. Vol. 40, Pg. 2667, 1975.