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

Details

Stereochemistry ACHIRAL
Molecular Formula C22H26F3N3O3S
Molecular Weight 469.52
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of FLUPHENAZINE S,S-DIOXIDE

SMILES

OCCN1CCN(CCCN2C3=CC(=CC=C3S(=O)(=O)C4=C2C=CC=C4)C(F)(F)F)CC1

InChI

InChIKey=GHRRWTIXBRORSP-UHFFFAOYSA-N
InChI=1S/C22H26F3N3O3S/c23-22(24,25)17-6-7-21-19(16-17)28(18-4-1-2-5-20(18)32(21,30)31)9-3-8-26-10-12-27(13-11-26)14-15-29/h1-2,4-7,16,29H,3,8-15H2

HIDE SMILES / InChI

Molecular Formula C22H26F3N3O3S
Molecular Weight 469.52
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Thu Jul 06 13:25:11 UTC 2023
Edited
by admin
on Thu Jul 06 13:25:11 UTC 2023
Record UNII
V6267DR81T
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
FLUPHENAZINE S,S-DIOXIDE
Common Name English
2-(4-(3-(5,5-DIOXO-2-(TRIFLUOROMETHYL)-10H-5.LAMBDA.6-PHENOTHIAZIN-10-YL)PROPYL)PIPERAZIN-1-YL)ETHANOL
Systematic Name English
FLUPHENAZINE DIHYDROCHLORIDE IMPURITY B [EP IMPURITY]
Common Name English
1-PIPERAZINEETHANOL, 4-(3-(5,5-DIOXIDO-2-(TRIFLUOROMETHYL)-10H-PHENOTHIAZIN-10-YL)PROPYL)-
Systematic Name English
FLUPHENAZINE RELATED COMPOUND B [USP-RS]
Common Name English
Code System Code Type Description
EPA CompTox
DTXSID101123531
Created by admin on Thu Jul 06 13:25:12 UTC 2023 , Edited by admin on Thu Jul 06 13:25:12 UTC 2023
PRIMARY
CAS
1476-79-5
Created by admin on Thu Jul 06 13:25:12 UTC 2023 , Edited by admin on Thu Jul 06 13:25:12 UTC 2023
PRIMARY
PUBCHEM
72941445
Created by admin on Thu Jul 06 13:25:12 UTC 2023 , Edited by admin on Thu Jul 06 13:25:12 UTC 2023
PRIMARY
FDA UNII
V6267DR81T
Created by admin on Thu Jul 06 13:25:12 UTC 2023 , Edited by admin on Thu Jul 06 13:25:12 UTC 2023
PRIMARY
RS_ITEM_NUM
1282026
Created by admin on Thu Jul 06 13:25:12 UTC 2023 , Edited by admin on Thu Jul 06 13:25:12 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY
274 nm
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP