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Details

Stereochemistry ACHIRAL
Molecular Formula C21H25N3O3S
Molecular Weight 399.507
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of QUETIAPINE N-OXIDE

SMILES

OCCOCC[N+]1([O-])CCN(CC1)C2=NC3=CC=CC=C3SC4=CC=CC=C24

InChI

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

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 14:42:56 GMT 2023
Edited
by admin
on Sat Dec 16 14:42:56 GMT 2023
Record UNII
WQR2X5D273
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
QUETIAPINE N-OXIDE
Common Name English
2-(2-(4-DIBENZO(B,F)(1,4)THIAZEPIN-11-YL-1-OXIDO-1-PIPERAZINYL)ETHOXY)ETHANOL
Systematic Name English
QUETIAPINE FUMARATE IMPURITY H [EP IMPURITY]
Common Name English
QUETIAPINE RELATED COMPOUND H [USP-RS]
Common Name English
ETHANOL, 2-(2-(4-DIBENZO(B,F)(1,4)THIAZEPIN-11-YL-1-OXIDO-1-PIPERAZINYL)ETHOXY)-
Systematic Name English
Code System Code Type Description
RS_ITEM_NUM
1592792
Created by admin on Sat Dec 16 14:42:56 GMT 2023 , Edited by admin on Sat Dec 16 14:42:56 GMT 2023
PRIMARY
PUBCHEM
29986777
Created by admin on Sat Dec 16 14:42:56 GMT 2023 , Edited by admin on Sat Dec 16 14:42:56 GMT 2023
PRIMARY
FDA UNII
WQR2X5D273
Created by admin on Sat Dec 16 14:42:56 GMT 2023 , Edited by admin on Sat Dec 16 14:42:56 GMT 2023
PRIMARY
EPA CompTox
DTXSID50652674
Created by admin on Sat Dec 16 14:42:56 GMT 2023 , Edited by admin on Sat Dec 16 14:42:56 GMT 2023
PRIMARY
CAS
1076199-40-0
Created by admin on Sat Dec 16 14:42:56 GMT 2023 , Edited by admin on Sat Dec 16 14:42:56 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP