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Chemical structure of N-Desethyl amodiaquine-d5 dihydrochloride

GC70614

N-Desethyl amodiaquine-d5 dihydrochloride

Also known as 4-[(7-chloroquinolin-4-yl)amino]-2-[(1,1,2,2,2-pentadeuterioethylamino)methyl]phenol;dihydrochloride

N-Desethyl amodiaquine-d5 (dihydrochloride) is the deuterium labeled N-Desethyl amodiaquine dihydrochloride

ChemicalCAS1216894-33-5MW405.76FormulaC18H15D5Cl3N3O
CAS number
1216894-33-5
Molecular weight
405.76
Formula
C18H15D5Cl3N3O
InChIKey
BCYBRFGUODDEGH-ZWOCKVCESA-N
Catalogue number
GC70614
Brand
GLPBIO
Computed properties PubChem CID 45358919 · TPSA 57.2 Ų · H-bond donors 5 · H-bond acceptors 4
TPSA
57.2 Ų
H-bond donors
5
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
25

SMILES [2H]C([2H])([2H])C([2H])([2H])NCC1=C(C=CC(=C1)NC2=C3C=CC(=CC3=NC=C2)Cl)O.Cl.Cl

Computed descriptors from PubChem (CID 45358919), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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