trans-Clopenthixol

CAS Registry Number®

53772-84-2

CAS Name

trans-Clopenthixol

Molecular Formula

C22H25ClN2OS

Molecular Mass

400.96

Cite this Page

trans-Clopenthixol.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=53772-84-2 (retrieved 2024-11-22) (CAS RN: 53772-84-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C22H25ClN2OS/c23-17-7-8-22-20(16-17)18(19-4-1-2-6-21(19)27-22)5-3-9-24-10-12-25(13-11-24)14-15-26/h1-2,4-8,16,26H,3,9-15H2/b18-5+

InChIKey

InChIKey=WFPIAZLQTJBIFN-BLLMUTORSA-N

SMILES

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

Canonical SMILES

ClC1=CC=C2SC=3C=CC=CC3C(=CCCN4CCN(CCO)CC4)C2=C1

Other Names for this Substance

  • 1-Piperazineethanol, 4-[(3E)-3-(2-chloro-9H-thioxanthen-9-ylidene)propyl]-
  • 1-Piperazineethanol, 4-[3-(2-chloro-9H-thioxanthen-9-ylidene)propyl]-, (E)-
  • 9H-Thioxanthene, 1-piperazineethanol deriv.
  • 4-[(3E)-3-(2-Chloro-9H-thioxanthen-9-ylidene)propyl]-1-piperazineethanol
  • β-Clopenthixol

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CAS INSIGHTSTM
Targeted protein degrader structure, illustration