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Details

Stereochemistry RACEMIC
Molecular Formula C21H25N3O3S
Molecular Weight 399.507
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of QUETIAPINE S-OXIDE

SMILES

OCCOCCN1CCN(CC1)C2=NC3=CC=CC=C3[S+]([O-])C4=CC=CC=C24

InChI

InChIKey=FXJNLPUSSHEDON-UHFFFAOYSA-N
InChI=1S/C21H25N3O3S/c25-14-16-27-15-13-23-9-11-24(12-10-23)21-17-5-1-3-7-19(17)28(26)20-8-4-2-6-18(20)22-21/h1-8,25H,9-16H2

HIDE SMILES / InChI

Molecular Formula C21H25N3O3S
Molecular Weight 399.507
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Description

Quetiapine Sulfoxide is a metabolite of Quetiapine

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 09:02:50 UTC 2023
Edited
by admin
on Sat Dec 16 09:02:50 UTC 2023
Record UNII
1CW92313VM
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
QUETIAPINE S-OXIDE
Common Name English
QUETIAPINE FUMARATE IMPURITY S [EP IMPURITY]
Common Name English
2-(2-(4-(5-OXIDODIBENZO(B,F)(1,4)THIAZEPIN-11-YL)PIPERAZIN-1-YL)ETHOXY)ETHANOL
Systematic Name English
QUETIAPINE SULFOXIDE
Common Name English
ETHANOL, 2-(2-(4-(5-OXIDODIBENZO(B,F)(1,4)THIAZEPIN-11-YL)-1-PIPERAZINYL)ETHOXY)-
Systematic Name English
Code System Code Type Description
FDA UNII
1CW92313VM
Created by admin on Sat Dec 16 09:02:50 UTC 2023 , Edited by admin on Sat Dec 16 09:02:50 UTC 2023
PRIMARY
CAS
329216-63-9
Created by admin on Sat Dec 16 09:02:50 UTC 2023 , Edited by admin on Sat Dec 16 09:02:50 UTC 2023
PRIMARY
PUBCHEM
10431050
Created by admin on Sat Dec 16 09:02:50 UTC 2023 , Edited by admin on Sat Dec 16 09:02:50 UTC 2023
PRIMARY
EPA CompTox
DTXSID40439830
Created by admin on Sat Dec 16 09:02:50 UTC 2023 , Edited by admin on Sat Dec 16 09:02:50 UTC 2023
PRIMARY
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PARENT -> METABOLITE INACTIVE
MAJOR
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PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP