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Substance Name: Piperazine, 1-(8-chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-4-(2-(4-fluorophenoxy)ethyl)-,(Z)-2-butenedioate (1:2)
RN: 77602-99-4
InChIKey: FHLCVIWPTPKANR-LVEZLNDCSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C26-H26-Cl-F-N2-O-S.2C4-H4-O4

Molecular Weight

  • 701.1646
 
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Names and Synonyms

Synonym

  • VUFB-12,333

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 77602-99-4

System Generated Number

  • 0077602994

Molecular Formulas

Molecular Formula

  • C26-H26-Cl-F-N2-O-S.2C4-H4-O4

Molecular Formula Fragments

  • C26-H26-Cl-F-N2-O-S
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C26H26ClFN2OS.2C4H4O4/c27-20-5-10-26-23(18-20)24(17-19-3-1-2-4-25(19)32-26)30-13-11-29(12-14-30)15-16-31-22-8-6-21(28)7-9-22;2*5-3(6)1-2-4(7)8/h1-10,18,24H,11-17H2;2*1-2H,(H,5,6)(H,7,8)/b;2*2-1+

InChIKey

FHLCVIWPTPKANR-LVEZLNDCSA-N

Smiles

c1cc2c(cc1)Sc3c(cc(cc3)Cl)C(C2)N4CCN(CC4)CCOc5ccc(cc5)F.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 oral > 1495mg/kg (1495mg/kg)   Collection of Czechoslovak Chemical Communications. Vol. 45, Pg. 3182, 1980.