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Chemical structure of Desethoxy Quetiapine (hydrochloride)

GC49817

Desethoxy Quetiapine (hydrochloride)

Also known as 2-(4-benzo[b][1,4]benzothiazepin-6-ylpiperazin-1-yl)ethanol;dihydrochloride

An active metabolite of quetiapine

ChemicalCAS329218-14-6MW412.4FormulaC19H21N3OS • 2HCl
CAS number
329218-14-6
Molecular weight
412.4
Formula
C19H21N3OS • 2HCl
Solubility
Methanol： soluble
InChIKey
OXKMTOMGUPCOBA-UHFFFAOYSA-N
Catalogue number
GC49817
Brand
GLPBIO
Computed properties PubChem CID 131877863 · TPSA 64.4 Ų · H-bond donors 3 · H-bond acceptors 4
TPSA
64.4 Ų
H-bond donors
3
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
26

SMILES C1CN(CCN1CCO)C2=NC3=CC=CC=C3SC4=CC=CC=C42.Cl.Cl

Computed descriptors from PubChem (CID 131877863), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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