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Substance Name: 1-Piperazineethanol, 4-(2-((2-chlorodibenzo(b,f)thiepin-10-yl)oxy)ethyl)-, (Z)-2-butenedioate (1:2) (salt)
RN: 132121-40-5
InChIKey: RQHCIMYYPGDSOA-LVEZLNDCSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H25-Cl-N2-O2-S.2C4-H4-O4

Molecular Weight

  • 649.1137
 
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Names and Synonyms

Synonym

  • VUFB-17733

Systematic Name

  • 1-Piperazineethanol, 4-(2-((2-chlorodibenzo(b,f)thiepin-10-yl)oxy)ethyl)-, (Z)-2-butenedioate (1:2) (salt)

Registry Numbers

CAS Registry Number

  • 132121-40-5

System Generated Number

  • 0132121405

Molecular Formulas

Molecular Formula

  • C22-H25-Cl-N2-O2-S.2C4-H4-O4

Molecular Formula Fragments

  • C22-H25-Cl-N2-O2-S
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C22H25ClN2O2S.2C4H4O4/c23-18-5-6-21-17(15-18)16-20(19-3-1-2-4-22(19)28-21)27-14-12-25-9-7-24(8-10-25)11-13-26;2*5-3(6)1-2-4(7)8/h1-6,15-16,26H,7-14H2;2*1-2H,(H,5,6)(H,7,8)/b;2*2-1+

InChIKey

RQHCIMYYPGDSOA-LVEZLNDCSA-N

Smiles

c1cc2c(cc1)Sc3c(cc(cc3)Cl)C=C2OCCN4CCN(CC4)CCO.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 108mg/kg (108mg/kg)   Collection of Czechoslovak Chemical Communications. Vol. 55, Pg. 2282, 1990.
mouse LD50 oral 892mg/kg (892mg/kg)   Collection of Czechoslovak Chemical Communications. Vol. 55, Pg. 2282, 1990.