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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=CC=C(O)C=C3[S+]([O-])C4=CC=CC=C24

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

Approval Year

Unknown
139594
Name Type Language
7-HYDROXY QUETIAPINE S-OXIDE
Common Name English
DIBENZO(B,F)(1,4)THIAZEPIN-7-OL, 11-(4-(2-(2-HYDROXYETHOXY)ETHYL)-1-PIPERAZINYL)-, 5-OXIDE 7-HYDROXY QUETIAPINE S-OXIDE
Systematic Name English
Code System Code Type Description
CAS
1185170-04-0
Created by admin on Sat Dec 16 08:58:30 GMT 2023 , Edited by admin on Sat Dec 16 08:58:30 GMT 2023
PRIMARY
FDA UNII
HIZ2IDE7O4
Created by admin on Sat Dec 16 08:58:30 GMT 2023 , Edited by admin on Sat Dec 16 08:58:30 GMT 2023
PRIMARY
EPA CompTox
DTXSID40675958
Created by admin on Sat Dec 16 08:58:30 GMT 2023 , Edited by admin on Sat Dec 16 08:58:30 GMT 2023
PRIMARY
PUBCHEM
46781892
Created by admin on Sat Dec 16 08:58:30 GMT 2023 , Edited by admin on Sat Dec 16 08:58:30 GMT 2023
PRIMARY
PARENT (METABOLITE)
Structure of QUETIAPINE
NIH
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