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Chemical structure of Amitriptyline-d6 hydrochloride

GC76049

Amitriptyline-d6 hydrochloride

Also known as 3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)-N,N-bis(trideuteriomethyl)propan-1-amine;hydrochloride

Amitriptyline-d6 (hydrochloride) is the deuterium labeled Amitriptyline hydrochloride

ChemicalCAS203645-63-0MW319.9FormulaC20H18D6ClN
CAS number
203645-63-0
Molecular weight
319.9
Formula
C20H18D6ClN
Solubility
DMSO： ≥ 100 mg/mL (312·60 mM); H2O： ≥ 50 mg/mL (156·30 mM)
InChIKey
KFYRPLNVJVHZGT-TXHXQZCNSA-N
Catalogue number
GC76049
Brand
GLPBIO
Computed properties PubChem CID 76974221 · TPSA 3.2 Ų · H-bond donors 1 · H-bond acceptors 1
TPSA
3.2 Ų
H-bond donors
1
H-bond acceptors
1
Rotatable bonds
3
Heavy atoms
22

SMILES [2H]C([2H])([2H])N(CCC=C1C2=CC=CC=C2CCC3=CC=CC=C31)C([2H])([2H])[2H].Cl

Computed descriptors from PubChem (CID 76974221), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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