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Chemical structure of Anti-inflammatory agent 1

GC31976

Anti-inflammatory agent 1

Also known as 2-ethylsulfanyl-3-(4-hydroxyphenyl)-2H-chromen-7-ol

Anti-inflammatory agent 1 is an anti-inflammatory agent extracted from patent WO 2009003229 A1, example 36

ChemicalCAS1096621-42-9MW300.37FormulaC17H16O3S
CAS number
1096621-42-9
Molecular weight
300.37
Formula
C17H16O3S
Solubility
Soluble in DMSO
InChIKey
XXNXGFNAEVNSQA-UHFFFAOYSA-N
Catalogue number
GC31976
Brand
GLPBIO
Computed properties PubChem CID 25134317 · XLogP 3.9 · TPSA 75 Ų · H-bond donors 2
XLogP
3.9
TPSA
75 Ų
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
21

SMILES CCSC1C(=CC2=C(O1)C=C(C=C2)O)C3=CC=C(C=C3)O

Computed descriptors from PubChem (CID 25134317), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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