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Substance Name: 1-Piperazineethanol, 4-(8-chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-, (Z)-2-butenedioate (1:2)
RN: 61015-52-9
InChIKey: SBPWFFAJAOEHDW-LVEZLNDCSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H23-Cl-N2-O-S.2C4-H4-O4

Molecular Weight

  • 607.0769
 
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Names and Synonyms

Synonyms

  • 4-(8-Chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-1-piperazineethanol maleate (1:2)
  • Noroxyclothepin dimaleate
  • VUFB6,699

Systematic Name

  • 1-Piperazineethanol, 4-(8-chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-, (Z)-2-butenedioate (1:2)

Registry Numbers

CAS Registry Number

  • 61015-52-9

System Generated Number

  • 0061015529

Molecular Formulas

Molecular Formula

  • C20-H23-Cl-N2-O-S.2C4-H4-O4

Molecular Formula Fragments

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

Structure Descriptors

InChI

1S/C20H23ClN2OS.2C4H4O4/c21-16-5-6-20-17(14-16)18(13-15-3-1-2-4-19(15)25-20)23-9-7-22(8-10-23)11-12-24;2*5-3(6)1-2-4(7)8/h1-6,14,18,24H,7-13H2;2*1-2H,(H,5,6)(H,7,8)/b;2*2-1+

InChIKey

SBPWFFAJAOEHDW-LVEZLNDCSA-N

Smiles

c1cc2c(cc1)Sc3c(cc(cc3)Cl)C(C2)N4CCN(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 48575ug/kg (48.575mg/kg)   Collection of Czechoslovak Chemical Communications. Vol. 41, Pg. 443, 1976.