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Details

Stereochemistry ACHIRAL
Molecular Formula C21H21F3N2S
Molecular Weight 390.465
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of 1-[3-[(EZ)-2-(trifluoromethyl)-9H-thioxanthen-9-ylidene]propyl]piperazine

SMILES

FC(F)(F)C1=CC=C2SC3=C(C=CC=C3)C(=CCCN4CCNCC4)C2=C1

InChI

InChIKey=DEOBVMMGNRUIPT-BNCCVWRVSA-N
InChI=1S/C21H21F3N2S/c22-21(23,24)15-7-8-20-18(14-15)16(17-4-1-2-6-19(17)27-20)5-3-11-26-12-9-25-10-13-26/h1-2,4-8,14,25H,3,9-13H2/b16-5-

HIDE SMILES / InChI

Molecular Formula C21H21F3N2S
Molecular Weight 390.465
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 Wed Apr 02 16:59:11 GMT 2025
Edited
by admin
on Wed Apr 02 16:59:11 GMT 2025
Record UNII
XNR8XKU88A
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
FLUPENTIXOL DIHYDROCHLORIDE IMPURITY C [EP IMPURITY]
Preferred Name English
1-[3-[(EZ)-2-(trifluoromethyl)-9H-thioxanthen-9-ylidene]propyl]piperazine
Systematic Name English
1-[3-[2-(Trifluoromethyl)-9H-thioxanthen-9-ylidene]propyl]piperazine
Systematic Name English
Code System Code Type Description
FDA UNII
XNR8XKU88A
Created by admin on Wed Apr 02 16:59:11 GMT 2025 , Edited by admin on Wed Apr 02 16:59:11 GMT 2025
PRIMARY
CAS
22365-08-8
Created by admin on Wed Apr 02 16:59:11 GMT 2025 , Edited by admin on Wed Apr 02 16:59:11 GMT 2025
PRIMARY
PUBCHEM
68590842
Created by admin on Wed Apr 02 16:59:11 GMT 2025 , Edited by admin on Wed Apr 02 16:59:11 GMT 2025
PRIMARY
Related Record Type Details
PARENT -> IMPURITY