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Chemical structure of Inflachromene

GC40924

Inflachromene

Also known as 5-hydroxy-9,9-dimethyl-15-phenyl-8-oxa-13,15,17-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-2(7),3,5,10-tetraene-14,16-dione

Inflachromene is an inhibitor of HMGB1 and HMGB expression· Inflachromene can inhibit the release of HMGB1 and the NF-κB signaling pathway, exerting anti-inflammatory and neuroprotective effects· Inflachromene is mainly used to treat epilepsy

ChemicalCAS908568-01-4MW377.4FormulaC21H19N3O4
CAS number
908568-01-4
Molecular weight
377.4
Formula
C21H19N3O4
Solubility
2·5mg/mL in ethanol, 30mg/mL in DMSO, or in DMF
InChIKey
VVOXDJYPDCSQMI-UHFFFAOYSA-N
Catalogue number
GC40924
Brand
GLPBIO
Computed properties PubChem CID 49857340 · XLogP 2.3 · TPSA 73.3 Ų · H-bond donors 1
XLogP
2.3
TPSA
73.3 Ų
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
1
Heavy atoms
28

SMILES CC1(C2=CCN3C(=O)N(C(=O)N3C2C4=C(O1)C=C(C=C4)O)C5=CC=CC=C5)C

Computed descriptors from PubChem (CID 49857340), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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