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Substance Name: Piperazine, 1-(8-chloro-10,11-dihydro-3-fluorodibenzo(b,f)thiepin-10-yl)-4-(2-(1,3-dioxolan-2-yl)ethyl)-, (Z)-2-butenedioate (1:2)
RN: 65999-49-7
InChIKey: HEUPBMSFVVAPAP-LVEZLNDCSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C23-H26-Cl-F-N2-O2-S.2C4-H4-O4

Molecular Weight

  • 681.1306
 
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Names and Synonyms

Synonym

  • VUFB-10660

Systematic Name

  • Piperazine, 1-(8-chloro-10,11-dihydro-3-fluorodibenzo(b,f)thiepin-10-yl)-4-(2-(1,3-dioxolan-2-yl)ethyl)-, (Z)-2-butenedioate (1:2)

Registry Numbers

CAS Registry Number

  • 65999-49-7

System Generated Number

  • 0065999497

Molecular Formulas

Molecular Formula

  • C23-H26-Cl-F-N2-O2-S.2C4-H4-O4

Molecular Formula Fragments

  • C23-H26-Cl-F-N2-O2-S
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C23H26ClFN2O2S.2C4H4O4/c24-17-2-4-21-19(14-17)20(13-16-1-3-18(25)15-22(16)30-21)27-9-7-26(8-10-27)6-5-23-28-11-12-29-23;2*5-3(6)1-2-4(7)8/h1-4,14-15,20,23H,5-13H2;2*1-2H,(H,5,6)(H,7,8)/b;2*2-1+

InChIKey

HEUPBMSFVVAPAP-LVEZLNDCSA-N

Smiles

c1c(cc2c(c1)CC(c3c(ccc(c3)Cl)S2)N4CCN(CC4)CCC5OCCO5)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 167mg/kg (167mg/kg) BEHAVIORAL: ATAXIA Collection of Czechoslovak Chemical Communications. Vol. 42, Pg. 3079, 1977.