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Chemical structure of Ecamsule disodium

GC61828

Ecamsule disodium

Also known as disodium;[(3E)-3-[[4-[(Z)-[7,7-dimethyl-3-oxo-4-(sulfonatomethyl)-2-bicyclo[2.2.1]heptanylidene]methyl]phenyl]methylidene]-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]methanesulfonate

Ecamsule disodium is a broad-spectrum UVA filter that can be used in sunscreen product

ChemicalCAS90458-75-6MW606.66FormulaC28H32Na2O8S2
CAS number
90458-75-6
Molecular weight
606.66
Formula
C28H32Na2O8S2
Solubility
DMSO ： 50 mg/mL (82·42 mM)
InChIKey
ABZNEHKRFLKURR-BXUPKDGBSA-L
Catalogue number
GC61828
Brand
GLPBIO
Computed properties PubChem CID 127255372 · TPSA 165 Ų · H-bond donors 0 · H-bond acceptors 8
TPSA
165 Ų
H-bond donors
0
H-bond acceptors
8
Rotatable bonds
4
Heavy atoms
40

SMILES CC1(C\2CCC1(C(=O)/C2=C/C3=CC=C(C=C3)/C=C\4/C5CCC(C4=O)(C5(C)C)CS(=O)(=O)[O-])CS(=O)(=O)[O-])C.[Na+].[Na+]

Computed descriptors from PubChem (CID 127255372), 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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