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Substance Name: 1-Piperazineethanol, 4-(2-chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-, S-oxide, butanedioate, hydrate (1:1:1)
RN: 73225-70-4
InChIKey: LCFIFFKWJHKRNH-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H23-Cl-N2-O2-S.C4-H6-O4.H2-O

Molecular Weight

  • 509.0201
 
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Names and Synonyms

Synonym

  • VUFB12.397

Systematic Name

  • 1-Piperazineethanol, 4-(2-chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-, S-oxide, butanedioate, hydrate (1:1:1)

Registry Numbers

CAS Registry Number

  • 73225-70-4

System Generated Number

  • 0073225704

Molecular Formulas

Molecular Formula

  • C20-H23-Cl-N2-O2-S.C4-H6-O4.H2-O

Molecular Formula Fragments

  • C20-H23-Cl-N2-O2-S
  • C4-H6-O4
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C20H23ClN2O2S.C4H6O4/c21-16-5-6-19-15(13-16)14-18(17-3-1-2-4-20(17)26(19)25)23-9-7-22(8-10-23)11-12-24;5-3(6)1-2-4(7)8/h1-6,13,18,24H,7-12,14H2;1-2H2,(H,5,6)(H,7,8)

InChIKey

LCFIFFKWJHKRNH-UHFFFAOYSA-N

Smiles

c1ccc2c(c1)C(Cc3cc(ccc3S2=O)Cl)N4CCN(CC4)CCO.C(CC(=O)O)C(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 40mg/kg (40mg/kg) BEHAVIORAL: ATAXIA Collection of Czechoslovak Chemical Communications. Vol. 44, Pg. 3008, 1979.