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Details

Stereochemistry RACEMIC
Molecular Formula C21H25N3O4S
Molecular Weight 415.506
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 7-HYDROXY QUETIAPINE S-OXIDE

SMILES

OCCOCCN1CCN(CC1)C2=NC3=C(C=C(O)C=C3)[S+]([O-])C4=C2C=CC=C4

InChI

InChIKey=PUDUSSVBGMRCCM-UHFFFAOYSA-N
InChI=1S/C21H25N3O4S/c25-12-14-28-13-11-23-7-9-24(10-8-23)21-17-3-1-2-4-19(17)29(27)20-15-16(26)5-6-18(20)22-21/h1-6,15,25-26H,7-14H2

HIDE SMILES / InChI

Molecular Formula C21H25N3O4S
Molecular Weight 415.506
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 Mon Mar 31 22:24:53 GMT 2025
Edited
by admin
on Mon Mar 31 22:24:53 GMT 2025
Record UNII
HIZ2IDE7O4
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
DIBENZO(B,F)(1,4)THIAZEPIN-7-OL, 11-(4-(2-(2-HYDROXYETHOXY)ETHYL)-1-PIPERAZINYL)-, 5-OXIDE 7-HYDROXY QUETIAPINE S-OXIDE
Preferred Name English
7-HYDROXY QUETIAPINE S-OXIDE
Common Name English
Code System Code Type Description
CAS
1185170-04-0
Created by admin on Mon Mar 31 22:24:53 GMT 2025 , Edited by admin on Mon Mar 31 22:24:53 GMT 2025
PRIMARY
FDA UNII
HIZ2IDE7O4
Created by admin on Mon Mar 31 22:24:53 GMT 2025 , Edited by admin on Mon Mar 31 22:24:53 GMT 2025
PRIMARY
EPA CompTox
DTXSID40675958
Created by admin on Mon Mar 31 22:24:53 GMT 2025 , Edited by admin on Mon Mar 31 22:24:53 GMT 2025
PRIMARY
PUBCHEM
46781892
Created by admin on Mon Mar 31 22:24:53 GMT 2025 , Edited by admin on Mon Mar 31 22:24:53 GMT 2025
PRIMARY
Related Record Type Details
PARENT -> METABOLITE