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Chemical structure of Gefarnate

GC31764

Gefarnate

Also known as [(2E)-3,7-dimethylocta-2,6-dienyl] (4E,8E)-5,9,13-trimethyltetradeca-4,8,12-trienoate

Gefarnate is a drug used for the treatment of gastritis and gastric ulcer, and has been proposed for use in the treatment of dry eye syndrome

ChemicalCAS51-77-4MW400.64FormulaC27H44O2
CAS number
51-77-4
Molecular weight
400.64
Formula
C27H44O2
Solubility
DMSO ： ≥ 100 mg/mL (249·60 mM)
InChIKey
ZPACYDRSPFRDHO-ROBAGEODSA-N
Catalogue number
GC31764
Brand
GLPBIO
Computed properties PubChem CID 5282182 · XLogP 9.1 · TPSA 26.3 Ų · H-bond donors 0
XLogP
9.1
TPSA
26.3 Ų
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
15
Heavy atoms
29

SMILES CC(=CCC/C(=C/CC/C(=C/CCC(=O)OC/C=C(\C)/CCC=C(C)C)/C)/C)C

Computed descriptors from PubChem (CID 5282182), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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