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Chemical structure of Tafenoquine-d3 succinate

GB62198

Tafenoquine-d3 succinate

Also known as butanedioic acid;4-N-[6-methoxy-4-methyl-2-(trideuteriomethoxy)-5-[3-(trifluoromethyl)phenoxy]quinolin-8-yl]pentane-1,4-diamine

Tafenoquine-d3 is a trideuerium-labeled Tafenoquine derivative

ChemicalCAS1133378-83-2MW584.61FormulaC28H31D3F3N3O7
CAS number
1133378-83-2
Molecular weight
584.61
Formula
C28H31D3F3N3O7
Solubility
Soluble in DMSO
InChIKey
CQBKFGJRAOXYIP-NXIGQQGZSA-N
Catalogue number
GB62198
Brand
GLPBIO
Computed properties PubChem CID 154731824 · TPSA 153 Ų · H-bond donors 4 · H-bond acceptors 13
TPSA
153 Ų
H-bond donors
4
H-bond acceptors
13
Rotatable bonds
12
Heavy atoms
41

SMILES [2H]C([2H])([2H])OC1=NC2=C(C(=C1)C)C(=C(C=C2NC(C)CCCN)OC)OC3=CC=CC(=C3)C(F)(F)F.C(CC(=O)O)C(=O)O

Computed descriptors from PubChem (CID 154731824), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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