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Chemical structure of N-Desethyl amodiaquine-d5

GC75106

N-Desethyl amodiaquine-d5

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

N-Desethyl amodiaquine-d5 is the deuterium labeled N-Desethyl amodiaquine

ChemicalCAS1173023-19-2MW332.84FormulaC18H13D5ClN3O
CAS number
1173023-19-2
Molecular weight
332.84
Formula
C18H13D5ClN3O
Solubility
DMSO： 100 mg/mL (300·44 mM; Need ultrasonic)
InChIKey
VRXFDHAGFYWGHT-ZBJDZAJPSA-N
Catalogue number
GC75106
Brand
GLPBIO
Computed properties PubChem CID 45038857 · XLogP 2.3 · TPSA 57.2 Ų · H-bond donors 3
XLogP
2.3
TPSA
57.2 Ų
H-bond donors
3
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
23

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

Computed descriptors from PubChem (CID 45038857), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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