Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Piperazine, 1-(8-chloro-10,11-dihydro-3-fluorodibenzo(b,f)thiepin-10-yl)-4-(2-(4-methyl-1,3-dioxolan-2-yl)ethyl)-, (Z)-2-butenedioate, hydrate (2:2:1)
RN: 65999-51-1
InChIKey: LRFCLQQDLBNLAX-WLHGVMLRSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C24-H28-Cl-F-N2-O2-S.C4-H4-O4.1/2H2-O

Molecular Weight

  • 579.0858
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Synonym

  • VUFB-10659

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 65999-51-1

System Generated Number

  • 0065999511

Molecular Formulas

Molecular Formula

  • C24-H28-Cl-F-N2-O2-S.C4-H4-O4.1/2H2-O

Molecular Formula Fragments

  • C24-H28-Cl-F-N2-O2-S
  • C4-H4-O4
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C24H28ClFN2O2S.C4H4O4/c1-16-15-29-24(30-16)6-7-27-8-10-28(11-9-27)21-12-17-2-4-19(26)14-23(17)31-22-5-3-18(25)13-20(21)22;5-3(6)1-2-4(7)8/h2-5,13-14,16,21,24H,6-12,15H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+

InChIKey

LRFCLQQDLBNLAX-WLHGVMLRSA-N

Smiles

CC1COC(O1)CCN2CCN(CC2)C3Cc4ccc(cc4Sc5c3cc(cc5)Cl)F.C(=C/C(=O)O)\C(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 171mg/kg (171mg/kg) BEHAVIORAL: ATAXIA Collection of Czechoslovak Chemical Communications. Vol. 42, Pg. 3079, 1977.