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Chemical structure of Quetiapine D4 fumarate

GC37055

Quetiapine D4 fumarate

Also known as 2-[2-(4-benzo[b][1,4]benzothiazepin-6-ylpiperazin-1-yl)ethoxy]-1,1,2,2-tetradeuterioethanol;(E)-but-2-enedioic acid

Quetiapine D4 fumarate is the deuterium labeled Quetiapine fumarate

ChemicalCAS1287376-15-1MW503.6FormulaC25H25D4N3O6S
CAS number
1287376-15-1
Molecular weight
503.6
Formula
C25H25D4N3O6S
Solubility
Soluble in DMSO
InChIKey
VRHJBWUIWQOFLF-SQGQDMBVSA-N
Catalogue number
GC37055
Brand
GLPBIO
Computed properties PubChem CID 45359087 · TPSA 148 Ų · H-bond donors 3 · H-bond acceptors 9
TPSA
148 Ų
H-bond donors
3
H-bond acceptors
9
Rotatable bonds
8
Heavy atoms
35

SMILES [2H]C([2H])(C([2H])([2H])OCCN1CCN(CC1)C2=NC3=CC=CC=C3SC4=CC=CC=C42)O.C(=C/C(=O)O)\C(=O)O

Computed descriptors from PubChem (CID 45359087), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

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Documents
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