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

Details

Stereochemistry ACHIRAL
Molecular Formula C25H27F3N2O2S
Molecular Weight 476.554
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of 2-(4-(3-(2-(Trifluoromethyl)-9h-thioxanthen-9-ylidene)-propyl)piperazin-1-yl)ethyl acetate

SMILES

CC(=O)OCCN1CCN(CC\C=C2/C3=CC=CC=C3SC4=C2C=C(C=C4)C(F)(F)F)CC1

InChI

InChIKey=LIMWKBFFZAAUHI-CGOBSMCZSA-N
InChI=1S/C25H27F3N2O2S/c1-18(31)32-16-15-30-13-11-29(12-14-30)10-4-6-20-21-5-2-3-7-23(21)33-24-9-8-19(17-22(20)24)25(26,27)28/h2-3,5-9,17H,4,10-16H2,1H3/b20-6+

HIDE SMILES / InChI

Molecular Formula C25H27F3N2O2S
Molecular Weight 476.554
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 Sat Dec 16 19:35:08 UTC 2023
Edited
by admin
on Sat Dec 16 19:35:08 UTC 2023
Record UNII
4ALC2UL25Z
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-(4-(3-(2-(Trifluoromethyl)-9h-thioxanthen-9-ylidene)-propyl)piperazin-1-yl)ethyl acetate
Systematic Name English
1-Piperazineethanol, 4-[3-[2-(trifluoromethyl)-9H-thioxanthen-9-ylidene]propyl]-, 1-acetate
Systematic Name English
2-[4-[3-[(EZ)-2-(trifluoromethyl)-9H-thioxanthen-9-ylidene]propyl]piperazin-1-yl]ethyl acetate
Systematic Name English
FLUPENTIXOL DIHYDROCHLORIDE IMPURITY E [EP IMPURITY]
Common Name English
Code System Code Type Description
PUBCHEM
129318449
Created by admin on Sat Dec 16 19:35:08 UTC 2023 , Edited by admin on Sat Dec 16 19:35:08 UTC 2023
PRIMARY
CAS
15057-73-5
Created by admin on Sat Dec 16 19:35:08 UTC 2023 , Edited by admin on Sat Dec 16 19:35:08 UTC 2023
PRIMARY
FDA UNII
4ALC2UL25Z
Created by admin on Sat Dec 16 19:35:08 UTC 2023 , Edited by admin on Sat Dec 16 19:35:08 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY