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Details

Stereochemistry ACHIRAL
Molecular Formula C19H21N3S.2ClH
Molecular Weight 396.377
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Des(2-hydroxyethoxy)quetiapine dihydrochloride

SMILES

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

InChI

InChIKey=QRBKVRXNKYJLRA-UHFFFAOYSA-N
InChI=1S/C19H21N3S.2ClH/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;2*1H

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

Molecular Formula ClH
Molecular Weight 36.461
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 Wed Apr 02 17:09:38 GMT 2025
Edited
by admin
on Wed Apr 02 17:09:38 GMT 2025
Record UNII
RB6QD45TMZ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
6-(4-Ethylpiperazin-1-yl)benzo[b][1,4]benzothiazepine dihydrochloride
Preferred Name English
Des(2-hydroxyethoxy)quetiapine dihydrochloride
Systematic Name English
Code System Code Type Description
FDA UNII
RB6QD45TMZ
Created by admin on Wed Apr 02 17:09:38 GMT 2025 , Edited by admin on Wed Apr 02 17:09:38 GMT 2025
PRIMARY
PUBCHEM
156613470
Created by admin on Wed Apr 02 17:09:38 GMT 2025 , Edited by admin on Wed Apr 02 17:09:38 GMT 2025
PRIMARY
Related Record Type Details
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