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Chemical structure of Ninerafaxstat trihydrochloride

GC70828

Ninerafaxstat trihydrochloride

Also known as 2-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]ethyl pyridine-3-carboxylate;trihydrochloride

Ninerafaxstat (IMB-1018972) trihydrochloride is a novel mitotropic agent

ChemicalCAS2311824-72-1MW524.87FormulaC22H32Cl3N3O5
CAS number
2311824-72-1
Molecular weight
524.87
Formula
C22H32Cl3N3O5
Solubility
DMSO ： 41·67 mg/mL (79·39 mM; ultrasonic and warming and heat to 60°C; Hygroscopic DMSO has a significant impact on the solubility of product, please use newly opened DMSO)
InChIKey
XDBODYSZDLGFRQ-UHFFFAOYSA-N
Catalogue number
GC70828
Brand
GLPBIO
Computed properties PubChem CID 155801579 · TPSA 73.4 Ų · H-bond donors 3 · H-bond acceptors 8
TPSA
73.4 Ų
H-bond donors
3
H-bond acceptors
8
Rotatable bonds
10
Heavy atoms
33

SMILES COC1=C(C(=C(C=C1)CN2CCN(CC2)CCOC(=O)C3=CN=CC=C3)OC)OC.Cl.Cl.Cl

Computed descriptors from PubChem (CID 155801579), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

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Documents
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