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Chemical structure of Glycerol derivative 1

GC36160

Glycerol derivative 1

Also known as [3-[(1-ethylpyridin-1-ium-2-yl)methyl-(2-methoxybenzoyl)carbamoyl]oxy-2-methoxypropyl] 4-(octadecylcarbamoyloxy)piperidine-1-carboxylate chloride

Glycerol derivative 1 is a Glycerol derivative extracted from patent EP 672415 A1, compound (1)

ChemicalCAS128400-55-5MW861.55FormulaC46H73ClN4O9
CAS number
128400-55-5
Molecular weight
861.55
Formula
C46H73ClN4O9
Solubility
Soluble in DMSO
InChIKey
IXRMFSBOHHRXSS-UHFFFAOYSA-N
Catalogue number
GC36160
Brand
GLPBIO
Computed properties PubChem CID 9919108 · TPSA 137 Ų · H-bond donors 1 · H-bond acceptors 10
TPSA
137 Ų
H-bond donors
1
H-bond acceptors
10
Rotatable bonds
31
Heavy atoms
60

SMILES CCCCCCCCCCCCCCCCCCNC(=O)OC1CCN(CC1)C(=O)OCC(COC(=O)N(CC2=CC=CC=[N+]2CC)C(=O)C3=CC=CC=C3OC)OC.[Cl-]

Computed descriptors from PubChem (CID 9919108), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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