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Substance Name: Piperazine, 1-(3-chloro-6,7-dihydro-5H-dibenzo(b,g)thiocin-5-yl)-4-methyl-, (Z)-2-butenedioate, hydrate (2:4:1)
RN: 74801-58-4
InChIKey: VHMDAXZTUYBWGM-LVEZLNDCSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H23-Cl-N2-S.2C4-H4-O4.1/2H2-O

Molecular Weight

  • 591.0779
 
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Names and Synonyms

Synonyms

  • 3-Chloro-5-(4-methylpiperazino)-6,7-dihydro-5H-dibenzo(b,g)thiocin dimaleate hemihydrate
  • VUFB-12324

Systematic Name

  • Piperazine, 1-(3-chloro-6,7-dihydro-5H-dibenzo(b,g)thiocin-5-yl)-4-methyl-, (Z)-2-butenedioate, hydrate (2:4:1)

Registry Numbers

CAS Registry Number

  • 74801-58-4

System Generated Number

  • 0074801584

Molecular Formulas

Molecular Formula

  • C20-H23-Cl-N2-S.2C4-H4-O4.1/2H2-O

Molecular Formula Fragments

  • C20-H23-Cl-N2-S
  • C4-H4-O4
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C20H23ClN2S.2C4H4O4/c1-22-10-12-23(13-11-22)18-8-6-15-4-2-3-5-19(15)24-20-9-7-16(21)14-17(18)20;2*5-3(6)1-2-4(7)8/h2-5,7,9,14,18H,6,8,10-13H2,1H3;2*1-2H,(H,5,6)(H,7,8)/b;2*2-1+

InChIKey

VHMDAXZTUYBWGM-LVEZLNDCSA-N

Smiles

CN1CCN(CC1)C2c3c(ccc(c3)Cl)Sc4c(cccc4)CC2.C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 75mg/kg (75mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) Collection of Czechoslovak Chemical Communications. Vol. 45, Pg. 491, 1980.
mouse LD50 oral 334mg/kg (334mg/kg) BEHAVIORAL: ATAXIA Collection of Czechoslovak Chemical Communications. Vol. 45, Pg. 491, 1980.