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

Details

Stereochemistry ACHIRAL
Molecular Formula C19H21N3S
Molecular Weight 323.455
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DES(2-HYDROXYETHOXY)QUETIAPINE

SMILES

CCN1CCN(CC1)C2=NC3=C(SC4=C2C=CC=C4)C=CC=C3

InChI

InChIKey=KUKQJNQKJWEVCE-UHFFFAOYSA-N
InChI=1S/C19H21N3S/c1-2-21-11-13-22(14-12-21)19-15-7-3-5-9-17(15)23-18-10-6-4-8-16(18)20-19/h3-10H,2,11-14H2,1H3

HIDE SMILES / InChI

Molecular Formula C19H21N3S
Molecular Weight 323.455
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 10:37:28 UTC 2023
Edited
by admin
on Sat Dec 16 10:37:28 UTC 2023
Record UNII
RWH9KS2BXZ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
DES(2-HYDROXYETHOXY)QUETIAPINE
Common Name English
N-ETHYL QUETIAPINE [USP IMPURITY]
Common Name English
11-(4-ETHYL-1-PIPERAZINYL)DIBENZO(B,F)(1,4)THIAZEPINE
Systematic Name English
DIBENZO(B,F)(1,4)THIAZEPINE, 11-(4-ETHYL-1-PIPERAZINYL)-
Systematic Name English
11-(4-ETHYLPIPERAZIN-1-YL)DIBENZO(B,F)(1,4)THIAZEPINE
Systematic Name English
N-ETHYL QUETIAPINE
Common Name English
QUETIAPINE FUMARATE IMPURITY P [EP IMPURITY]
Common Name English
Code System Code Type Description
FDA UNII
RWH9KS2BXZ
Created by admin on Sat Dec 16 10:37:28 UTC 2023 , Edited by admin on Sat Dec 16 10:37:28 UTC 2023
PRIMARY
CAS
1011758-03-4
Created by admin on Sat Dec 16 10:37:28 UTC 2023 , Edited by admin on Sat Dec 16 10:37:28 UTC 2023
PRIMARY
EPA CompTox
DTXSID101212479
Created by admin on Sat Dec 16 10:37:28 UTC 2023 , Edited by admin on Sat Dec 16 10:37:28 UTC 2023
PRIMARY
PUBCHEM
24740450
Created by admin on Sat Dec 16 10:37:28 UTC 2023 , Edited by admin on Sat Dec 16 10:37:28 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
USP
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP