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Details

Stereochemistry RACEMIC
Molecular Formula C19H20F3NOS
Molecular Weight 367.428
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 9-[3-(Dimethylamino)propyl]-2-(trifluoromethyl)-9H-thioxanthen-9-ol

SMILES

CN(C)CCCC1(O)C2=C(SC3=C1C=C(C=C3)C(F)(F)F)C=CC=C2

InChI

InChIKey=QWIVUCLTMDQHOY-UHFFFAOYSA-N
InChI=1S/C19H20F3NOS/c1-23(2)11-5-10-18(24)14-6-3-4-7-16(14)25-17-9-8-13(12-15(17)18)19(20,21)22/h3-4,6-9,12,24H,5,10-11H2,1-2H3

HIDE SMILES / InChI

Molecular Formula C19H20F3NOS
Molecular Weight 367.428
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 17:27:06 GMT 2025
Edited
by admin
on Wed Apr 02 17:27:06 GMT 2025
Record UNII
2TWB29H8AC
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
9-[3-(Dimethylamino)propyl]-2-(trifluoromethyl)-9H-thioxanthen-9-ol
Systematic Name English
FLUPENTIXOL DIHYDROCHLORIDE IMPURITY A [EP IMPURITY]
Preferred Name English
(9RS)-9-[3-(dimethylamino)propyl]-2-(trifluoromethyl)-9H-thioxanthen-9-ol
Systematic Name English
9H-Thioxanthen-9-ol, 9-[3-(dimethylamino)propyl]-2-(trifluoromethyl)-
Systematic Name English
Code System Code Type Description
CAS
2340-57-0
Created by admin on Wed Apr 02 17:27:06 GMT 2025 , Edited by admin on Wed Apr 02 17:27:06 GMT 2025
PRIMARY
PUBCHEM
102787
Created by admin on Wed Apr 02 17:27:06 GMT 2025 , Edited by admin on Wed Apr 02 17:27:06 GMT 2025
PRIMARY
FDA UNII
2TWB29H8AC
Created by admin on Wed Apr 02 17:27:06 GMT 2025 , Edited by admin on Wed Apr 02 17:27:06 GMT 2025
PRIMARY
EPA CompTox
DTXSID10946061
Created by admin on Wed Apr 02 17:27:06 GMT 2025 , Edited by admin on Wed Apr 02 17:27:06 GMT 2025
PRIMARY
Related Record Type Details
PARENT -> IMPURITY