Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Piperidine, 1-methyl-4-(2-(trifluoromethyl)-11H-dibenz(b,e)(1,4)oxathiepin-11-yl)-, ethanedioate (1:1)
RN: 83986-20-3
InChIKey: SMYLDDKINXYSTC-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H20-F3-N-O-S.C2-H2-O4

Molecular Weight

  • 469.4778
 
* 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

  • 8-Trifluoromethyl-6-(1-methyl-4-piperidyl)-6H-dibenz(b,e)-1,4-oxathiepin hydrogen oxalate

Systematic Name

  • Piperidine, 1-methyl-4-(2-(trifluoromethyl)-11H-dibenz(b,e)(1,4)oxathiepin-11-yl)-, ethanedioate (1:1)

Registry Numbers

CAS Registry Number

  • 83986-20-3

System Generated Number

  • 0083986203

Molecular Formulas

Molecular Formula

  • C20-H20-F3-N-O-S.C2-H2-O4

Molecular Formula Fragments

  • C2-H2-O4
  • C20-H20-F3-N-O-S
  • COMPONENT

Structure Descriptors

InChI

1S/C20H20F3NOS.C2H2O4/c1-24-10-8-13(9-11-24)19-15-12-14(20(21,22)23)6-7-17(15)26-18-5-3-2-4-16(18)25-19;3-1(4)2(5)6/h2-7,12-13,19H,8-11H2,1H3;(H,3,4)(H,5,6)

InChIKey

SMYLDDKINXYSTC-UHFFFAOYSA-N

Smiles

CN1CCC(CC1)C2c3cc(ccc3Sc4ccccc4O2)C(F)(F)F.C(=O)(C(=O)O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 142mg/kg (142mg/kg)   Collection of Czechoslovak Chemical Communications. Vol. 47, Pg. 3077, 1982.