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Chemical structure of Paroxetine-d4 hydrochloride

GC71661

Paroxetine-d4 hydrochloride

Also known as (3S,4R)-3-(1,3-benzodioxol-5-yloxymethyl)-4-(2,3,5,6-tetradeuterio-4-fluorophenyl)piperidine;hydrochloride

Paroxetine-d4 (hydrochloride) is deuterium labeled Paroxetine (hydrochloride)

ChemicalCAS2714485-95-5MW369.85FormulaC19H17D4ClFNO3
CAS number
2714485-95-5
Molecular weight
369.85
Formula
C19H17D4ClFNO3
Solubility
DMSO ： 100 mg/mL (270·38 mM; Need ultrasonic; Hygroscopic DMSO has a significant impact on the solubility of product, please use newly opened DMSO); H2O ： 5 mg/mL (13·52 mM; Need ultrasonic)
InChIKey
GELRVIPPMNMYGS-TYPQLLAASA-N
Catalogue number
GC71661
Brand
GLPBIO
Computed properties PubChem CID 76973866 · TPSA 39.7 Ų · H-bond donors 2 · H-bond acceptors 5
TPSA
39.7 Ų
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
25

SMILES [2H]C1=C(C(=C(C(=C1[C@@H]2CCNC[C@H]2COC3=CC4=C(C=C3)OCO4)[2H])[2H])F)[2H].Cl

Computed descriptors from PubChem (CID 76973866), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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