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Chemical structure of Niraparib metabolite M1

GC33452

Niraparib metabolite M1

Also listed as Niraparib metabolite M1 (Niraparib carboxylic acid metabolite M1)

Niraparib metabolite M1 (Niraparib carboxylic acid metabolite M1) is a metabolite of niraparib, and the latter one acts as a novel poly(ADP-Ribose) polymerase (PARP) inhibitor

ChemicalCAS1476777-06-6MW321.37FormulaC19H19N3O2
CAS number
1476777-06-6
Molecular weight
321.37
Formula
C19H19N3O2
Solubility
DMSO ： ≥ 100 mg/mL (311·17 mM)
InChIKey
HDQHGRLURKGIFL-CQSZACIVSA-N
Catalogue number
GC33452
Brand
GLPBIO
Computed properties PubChem CID 118737587 · XLogP 0.6 · TPSA 67.2 Ų · H-bond donors 2
XLogP
0.6
TPSA
67.2 Ų
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
24

SMILES C1C[C@H](CNC1)C2=CC=C(C=C2)N3C=C4C=CC=C(C4=N3)C(=O)O

Computed descriptors from PubChem (CID 118737587), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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