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Chemical structure of Avanafil metabolite M16

GC42878

Avanafil metabolite M16

Also known as 4-[[4-[(3-chloro-4-methoxyphenyl)methylamino]-5-(pyrimidin-2-ylmethylcarbamoyl)pyrimidin-2-yl]amino]-5-hydroxypentanoic acid

Avanafil metabolite M16 is a major inactive metabolite of the phosphodiesterase 5 (PDE5) inhibitor avanafil

ChemicalCAS2748151-94-0MW516FormulaC23H26ClN7O5
CAS number
2748151-94-0
Molecular weight
516
Formula
C23H26ClN7O5
Solubility
Soluble in DMSO
InChIKey
PRFBRQCNRFBCHL-UHFFFAOYSA-N
Catalogue number
GC42878
Brand
GLPBIO
Computed properties PubChem CID 129012003 · XLogP 1.8 · TPSA 171 Ų · H-bond donors 5
XLogP
1.8
TPSA
171 Ų
H-bond donors
5
H-bond acceptors
11
Rotatable bonds
13
Heavy atoms
36

SMILES COC1=C(C=C(C=C1)CNC2=NC(=NC=C2C(=O)NCC3=NC=CC=N3)NC(CCC(=O)O)CO)Cl

Computed descriptors from PubChem (CID 129012003), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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