U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry RACEMIC
Molecular Formula C23H25F3N2OS
Molecular Weight 434.518
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of 4-[3-[2-(Trifluoromethyl)-9H-thioxanthen-9-yl]-2-propen-1-yl]-1-piperazineethanol

SMILES

OCCN1CCN(CC=CC2C3=C(SC4=C2C=C(C=C4)C(F)(F)F)C=CC=C3)CC1

InChI

InChIKey=DZXLBFKUNCJTDP-UHFFFAOYSA-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/h1-8,16,18,29H,9-15H2

HIDE SMILES / InChI

Molecular Formula C23H25F3N2OS
Molecular Weight 434.518
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 1
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 19:50:24 UTC 2023
Edited
by admin
on Sat Dec 16 19:50:24 UTC 2023
Record UNII
C365UHE4FY
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4-[3-[2-(Trifluoromethyl)-9H-thioxanthen-9-yl]-2-propen-1-yl]-1-piperazineethanol
Systematic Name English
1-Piperazineethanol, 4-[3-[2-(trifluoromethyl)-9H-thioxanthen-9-yl]-2-propen-1-yl]-
Systematic Name English
FLUPENTIXOL DIHYDROCHLORIDE IMPURITY H OR I [EP IMPURITY]
Common Name English
2-[4-[(EZ)-3-[(9RS)-2-(trifluoromethyl)-9H-thioxanthen-9-yl]prop-2-en-1-yl]piperazin-1-yl]ethan-1-ol
Systematic Name English
Code System Code Type Description
FDA UNII
C365UHE4FY
Created by admin on Sat Dec 16 19:50:24 UTC 2023 , Edited by admin on Sat Dec 16 19:50:24 UTC 2023
PRIMARY
PUBCHEM
53788007
Created by admin on Sat Dec 16 19:50:24 UTC 2023 , Edited by admin on Sat Dec 16 19:50:24 UTC 2023
PRIMARY
CAS
756419-50-8
Created by admin on Sat Dec 16 19:50:24 UTC 2023 , Edited by admin on Sat Dec 16 19:50:24 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY