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Chemical structure of AR-13324 M1 metabolite

GC34423

AR-13324 M1 metabolite

Also known as (2S)-3-amino-2-[4-(hydroxymethyl)phenyl]-N-isoquinolin-6-ylpropanamide

AR-13324 M1 metabolite is a hydrolysis metabolite of AR-13324 mesylate

ChemicalCAS2309668-15-1MW321.37FormulaC19H19N3O2
CAS number
2309668-15-1
Molecular weight
321.37
Formula
C19H19N3O2
Solubility
DMSO : ≥ 41·83 mg/mL (130·16 mM)
InChIKey
LTXBFJFJUIJOQE-GOSISDBHSA-N
Catalogue number
GC34423
Brand
GLPBIO
Computed properties PubChem CID 134128281 · XLogP 1.6 · TPSA 88.2 Ų · H-bond donors 3
XLogP
1.6
TPSA
88.2 Ų
H-bond donors
3
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
24

SMILES C1=CC(=CC=C1CO)[C@@H](CN)C(=O)NC2=CC3=C(C=C2)C=NC=C3

Computed descriptors from PubChem (CID 134128281), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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