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Details

Stereochemistry ACHIRAL
Molecular Formula C19H21N3OS
Molecular Weight 339.455
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DES-HYDROXYETHYL QUETIAPINE

SMILES

OCCN1CCN(CC1)C2=NC3=C(SC4=CC=CC=C24)C=CC=C3

InChI

InChIKey=OFLMIXVKBNAUIB-UHFFFAOYSA-N
InChI=1S/C19H21N3OS/c23-14-13-21-9-11-22(12-10-21)19-15-5-1-3-7-17(15)24-18-8-4-2-6-16(18)20-19/h1-8,23H,9-14H2

HIDE SMILES / InChI
Molecular Formula C19H21N3OS
Molecular Weight 339.455
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Unknown
139594
Substance Class Chemical
Created
by admin
on Sat Dec 16 09:05:02 UTC 2023
Edited
by admin
on Sat Dec 16 09:05:02 UTC 2023
Record UNII
5GWY87J9I4
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
DES-HYDROXYETHYL QUETIAPINE
Common Name English
1-PIPERAZINEETHANOL, 4-DIBENZO(B,F)(1,4)THIAZEPIN-11-YL-
Systematic Name English
2-(4-(DIBENZO(B,F)(1,4)THIAZEPIN-11-YL)PIPERAZIN-1-YL)ETHANOL
Systematic Name English
QUETIAPINE FUMARATE IMPURITY I [EP IMPURITY]
Common Name English
QUETIAPINE DESETHOXY
Common Name English
QUETIAPINE DESETHOXY [USP IMPURITY]
Common Name English
Code System Code Type Description
CAS
329216-67-3
Created by admin on Sat Dec 16 09:05:02 UTC 2023 , Edited by admin on Sat Dec 16 09:05:02 UTC 2023
PRIMARY
EPA CompTox
DTXSID001211254
Created by admin on Sat Dec 16 09:05:02 UTC 2023 , Edited by admin on Sat Dec 16 09:05:02 UTC 2023
PRIMARY
RS_ITEM_NUM
1A00190
Created by admin on Sat Dec 16 09:05:02 UTC 2023 , Edited by admin on Sat Dec 16 09:05:02 UTC 2023
PRIMARY
FDA UNII
5GWY87J9I4
Created by admin on Sat Dec 16 09:05:02 UTC 2023 , Edited by admin on Sat Dec 16 09:05:02 UTC 2023
PRIMARY
PUBCHEM
10807021
Created by admin on Sat Dec 16 09:05:02 UTC 2023 , Edited by admin on Sat Dec 16 09:05:02 UTC 2023
PRIMARY
Related Record Type Details
Structure of QUETIAPINE
PARENT -> METABOLITE
Related Record Type Details
Structure of QUETIAPINE FUMARATE
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
USP
Structure of QUETIAPINE FUMARATE
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP
NIH
NCATS
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