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Substance Name: Piperazine, 1-(3,8-dichloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-4-methyl-, methanesulfonate (2:3)
RN: 58912-93-9
InChIKey: GPAKJEJDRNWPSE-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C19-H20-Cl2-N2-S.3/2C-H4-O3-S

Molecular Weight

  • 1047.0228
 
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Names and Synonyms

Synonyms

  • 3,8-Dichloro-10-(4-methylpiperazino)-10,11-dihydrodibenzo(b,f)thiepin sesquimethanesulfonate
  • VUFB10,573

Systematic Name

  • Piperazine, 1-(3,8-dichloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-4-methyl-, methanesulfonate (2:3)

Registry Numbers

CAS Registry Number

  • 58912-93-9

System Generated Number

  • 0058912939

Molecular Formulas

Molecular Formula

  • C19-H20-Cl2-N2-S.3/2C-H4-O3-S

Molecular Formula Fragments

  • C-H4-O3-S
  • C19-H20-Cl2-N2-S
  • COMPONENT

Structure Descriptors

InChI

1S/2C19H20Cl2N2S.3CH4O3S/c2*1-22-6-8-23(9-7-22)17-10-13-2-3-15(21)12-19(13)24-18-5-4-14(20)11-16(17)18;3*1-5(2,3)4/h2*2-5,11-12,17H,6-10H2,1H3;3*1H3,(H,2,3,4)

InChIKey

GPAKJEJDRNWPSE-UHFFFAOYSA-N

Smiles

CN1CCN(CC1)C2Cc3ccc(cc3Sc4c2cc(cc4)Cl)Cl.CN1CCN(CC1)C2Cc3ccc(cc3Sc4c2cc(cc4)Cl)Cl.CS(=O)(=O)O.CS(=O)(=O)O.CS(=O)(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 524mg/kg (524mg/kg)   Collection of Czechoslovak Chemical Communications. Vol. 40, Pg. 3530, 1975.