trans-Flupenthixol

CAS Registry Number®

53772-85-3
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CAS Name

trans-Flupenthixol

Molecular Formula

C23H25F3N2OS

Molecular Mass

434.52

Cite this Page

trans-Flupenthixol.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?ref=53772-85-3 (retrieved 2024-05-04) (CAS RN: 53772-85-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C23H25F3N2OS/c24-23(25,26)17-7-8-22-20(16-17)18(19-4-1-2-6-21(19)30-22)5-3-9-27-10-12-28(13-11-27)14-15-29/h1-2,4-8,16,29H,3,9-15H2/b18-5+

InChIKey

InChIKey=NJMYODHXAKYRHW-BLLMUTORSA-N

SMILES

C(\CCN1CCN(CCO)CC1)=C\2/C=3C(SC=4C2=CC=CC4)=CC=C(C(F)(F)F)C3

Canonical SMILES

FC(F)(F)C1=CC=C2SC=3C=CC=CC3C(=CCCN4CCN(CCO)CC4)C2=C1

Other Names for this Substance

  • 1-Piperazineethanol, 4-[(3E)-3-[2-(trifluoromethyl)-9H-thioxanthen-9-ylidene]propyl]-
  • 1-Piperazineethanol, 4-[3-[2-(trifluoromethyl)-9H-thioxanthen-9-ylidene]propyl]-, (E)-
  • 9H-Thioxanthene, 1-piperazineethanol deriv.
  • 4-[(3E)-3-[2-(Trifluoromethyl)-9H-thioxanthen-9-ylidene]propyl]-1-piperazineethanol
  • β-Flupenthixol

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