U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

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 GMT 2023
Edited
by admin
on Sat Dec 16 09:05:02 GMT 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 GMT 2023 , Edited by admin on Sat Dec 16 09:05:02 GMT 2023
PRIMARY
EPA CompTox
DTXSID001211254
Created by admin on Sat Dec 16 09:05:02 GMT 2023 , Edited by admin on Sat Dec 16 09:05:02 GMT 2023
PRIMARY
RS_ITEM_NUM
1A00190
Created by admin on Sat Dec 16 09:05:02 GMT 2023 , Edited by admin on Sat Dec 16 09:05:02 GMT 2023
PRIMARY
FDA UNII
5GWY87J9I4
Created by admin on Sat Dec 16 09:05:02 GMT 2023 , Edited by admin on Sat Dec 16 09:05:02 GMT 2023
PRIMARY
PUBCHEM
10807021
Created by admin on Sat Dec 16 09:05:02 GMT 2023 , Edited by admin on Sat Dec 16 09:05:02 GMT 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
PRIVACY ACT
ACCESSIBILITY
DISCLAIMER
HHS VULNERABILITY DISCLOSURE
For language access assistance, contact the NCATS Public Information Officer
National Center for Advancing Translational Sciences (NCATS),
6701 Democracy Boulevard, Bethesda MD 20892-4874 • 301-594-8966