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Chemical structure of Pyronaridine-d4 tetraphosphate

GC75348

Pyronaridine-d4 tetraphosphate

Also known as (7-chloro-2-methoxybenzo[b][1,5]naphthyridine-1,5-diium-10-yl)-[3-[dideuterio(pyrrolidin-1-ium-1-yl)methyl]-5-[dideuterio(pyrrolidin-1-yl)methyl]-4-hydroxyphenyl]azanium;bis(dihydrogen phosphate);hydrogen phosphate;phosphoric acid

Pyronaridine-d4 (tetraphosphate) is the deuterium labeled Pyronaridine tetraphosphate

ChemicalCAS1186026-25-4MW914.06FormulaC29H40D4ClN5O18P4
CAS number
1186026-25-4
Molecular weight
914.06
Formula
C29H40D4ClN5O18P4
Solubility
H2O： 25 mg/mL (27·35 mM; Need ultrasonic and warming)
InChIKey
YKUQEKXHQFYULM-JPJNPXIZSA-N
Catalogue number
GC75348
Brand
GLPBIO
Computed properties PubChem CID 177841919 · TPSA 404 Ų · H-bond donors 13 · H-bond acceptors 19
TPSA
404 Ų
H-bond donors
13
H-bond acceptors
19
Rotatable bonds
7
Heavy atoms
57

SMILES [2H]C([2H])(C1=CC(=CC(=C1O)C([2H])([2H])[NH+]2CCCC2)[NH2+]C3=C4C(=[NH+]C5=C3C=CC(=C5)Cl)C=CC(=[NH+]4)OC)N6CCCC6.OP(=O)(O)O.OP(=O)(O)[O-].OP(=O)(O)[O-].OP(=O)([O-])[O-]

Computed descriptors from PubChem (CID 177841919), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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