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Chemical structure of Edoxaban impurity 4

GC62298

Edoxaban impurity 4

Also known as tert-butyl N-[(1R,2S,5S)-2-[[2-[(5-chloro-2-pyridinyl)amino]-2-oxoacetyl]amino]-5-(dimethylcarbamoyl)cyclohexyl]carbamate

Edoxaban impurity 4 is an impurity of Edoxaban

ChemicalCAS480452-36-6MW467.95FormulaC21H30ClN5O5
CAS number
480452-36-6
Molecular weight
467.95
Formula
C21H30ClN5O5
Solubility
DMSO ： 25 mg/mL (53·42 mM; Need ultrasonic)
InChIKey
YJDLJNAWLBVIRF-AEGPPILISA-N
Catalogue number
GC62298
Brand
GLPBIO
Computed properties PubChem CID 46911214 · XLogP 1.8 · TPSA 130 Ų · H-bond donors 3
XLogP
1.8
TPSA
130 Ų
H-bond donors
3
H-bond acceptors
6
Rotatable bonds
6
Heavy atoms
32

SMILES CC(C)(C)OC(=O)N[C@@H]1C[C@H](CC[C@@H]1NC(=O)C(=O)NC2=NC=C(C=C2)Cl)C(=O)N(C)C

Computed descriptors from PubChem (CID 46911214), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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