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Details

Stereochemistry ACHIRAL
Molecular Formula C23H25F3N2OS
Molecular Weight 434.518
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of FLUPENTIXOL, (E)-

SMILES

OCCN1CCN(CC\C=C2/C3=CC=CC=C3SC4=CC=C(C=C24)C(F)(F)F)CC1

InChI

InChIKey=NJMYODHXAKYRHW-BLLMUTORSA-N
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+

HIDE SMILES / InChI

Molecular Formula C23H25F3N2OS
Molecular Weight 434.518
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Tue Apr 01 18:11:26 GMT 2025
Edited
by admin
on Tue Apr 01 18:11:26 GMT 2025
Record UNII
895OJP78MJ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
FLUPENTIXOL, (E)-
Common Name English
.BETA.-FLUPENTHIXOL
Preferred Name English
E-FLUPENTIXOL
Common Name English
4-((3E)-3-(2-(TRIFLUOROMETHYL)-9H-THIOXANTHEN-9-YLIDENE)PROPYL)-1-PIPERAZINEETHANOL
Systematic Name English
1-PIPERAZINEETHANOL, 4-((3E)-3-(2-(TRIFLUOROMETHYL)-9H-THIOXANTHEN-9-YLIDENE)PROPYL)-
Systematic Name English
TRANS-FLUPENTIXOL
Common Name English
TRANS-FLUPENTHIXOL
Common Name English
E-FLUPENTHIXOL
Common Name English
1-PIPERAZINEETHANOL, 4-(3-(2-(TRIFLUOROMETHYL)-9H-THIOXANTHEN-9-YLIDENE)PROPYL)-, (E)-
Systematic Name English
Code System Code Type Description
ECHA (EC/EINECS)
258-759-0
Created by admin on Tue Apr 01 18:11:26 GMT 2025 , Edited by admin on Tue Apr 01 18:11:26 GMT 2025
PRIMARY
EPA CompTox
DTXSID50110027
Created by admin on Tue Apr 01 18:11:26 GMT 2025 , Edited by admin on Tue Apr 01 18:11:26 GMT 2025
PRIMARY
PUBCHEM
5281878
Created by admin on Tue Apr 01 18:11:26 GMT 2025 , Edited by admin on Tue Apr 01 18:11:26 GMT 2025
PRIMARY
FDA UNII
895OJP78MJ
Created by admin on Tue Apr 01 18:11:26 GMT 2025 , Edited by admin on Tue Apr 01 18:11:26 GMT 2025
PRIMARY
CAS
53772-85-3
Created by admin on Tue Apr 01 18:11:26 GMT 2025 , Edited by admin on Tue Apr 01 18:11:26 GMT 2025
PRIMARY