Chem
J-GLOBAL ID：200907057421909417   Nikkaji number：J366.071K

trans-Clopenthixol

trans-クロペンチキソール
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C22H25ClN2OS
Molecular formula furigana： C22-H25-CL-N2-O-S
Molecular weight： 400.970
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+
InChI key： WFPIAZLQTJBIFN-BLLMUTORSA-N
SMILES： OCCN1CCN(CC/C=C/2\c3ccccc3Sc3ccc(Cl)cc23)CC1
Systematic name  (3)：
  • 4-[3-[(9E)-2-クロロ-9H-チオキサンテン-9-イリデン]プロピル]-1-ピペラジンエタノール
  • 2-(4-{3-[(9E)-2-クロロ-9H-チオキサンテン-9-イリデン]プロピル}ピペラジン-1-イル)エタン-1-オール
  • 2-(4-{3-[(9E)-2-chloro-9H-thioxanthen-9-ylidene]propyl}piperazin-1-yl)ethan-1-ol
Other name (3)：
  • trans-Clopenthixol
  • trans-クロペンチキソール
  • 4-[3-[(9E)-2-Chloro-9H-thioxanthen-9-ylidene]propyl]-1-piperazineethanol
Thsaurus map：
Thesaurus Map

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