TNF-alpha Inhibitor
6,7-dimethyl-3-[[methyl-[2-[methyl-[[1-[3-(trifluoromethyl)phenyl]indol-3-yl]methyl]amino]ethyl]amino]methyl]chromen-4-one;dihydrochloride
Molecular Identity
TNF-alpha Inhibitor
6,7-dimethyl-3-[[methyl-[2-[methyl-[[1-[3-(trifluoromethyl)phenyl]indol-3-yl]methyl]amino]ethyl]amino]methyl]chromen-4-one;dihydrochloride
PubChem CID: 16079006
2D Structure
Properties
C32H34Cl2F3N3O2
Molecular Formula
620.50
Molecular Weight
g/mol
619.1980
Exact Mass
Da
37.7
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
7
H-Bond Acceptors
910
Complexity
SMILES
Canonical SMILES
SMILES: CC1=CC2=C(C=C1C)OC=C(C2=O)CN(C)CCN(C)CC3=CN(C4=CC=CC=C43)C5=CC=CC(=C5)C(F)(F)F.Cl.ClIsomeric SMILES
SMILES: CC1=CC2=C(C=C1C)OC=C(C2=O)CN(C)CCN(C)CC3=CN(C4=CC=CC=C43)C5=CC=CC(=C5)C(F)(F)F.Cl.ClSynonyms(20)
TNF-alpha Inhibitor1049741-03-8SPD304 (dihydrochloride)SPD304 dihydrochlorideSPD304Hydrochloride6,7-dimethyl-3-[[methyl-[2-[methyl-[[1-[3-(trifluoromethyl)phenyl]indol-3-yl]methyl]amino]ethyl]amino]methyl]chromen-4-one;dihydrochloride6,7-Dimethyl-3-((methyl(2-(methyl((1-(3-(trifluoromethyl)phenyl)-1H-indol-3-yl)methyl)amino)ethyl)amino)methyl)-4H-chromen-4-one dihydrochlorideMFCD09265259CAY10500 DihydrochlorideC32H34Cl2F3N3O2orb1309068CHEMBL4436581GOZMBJCYMQQACI-UHFFFAOYSA-NGLXC-10026GLXC-23000
Data from PubChem (NCBI)
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