S-Gboxin
[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 2-[3-methyl-2-[3-(trifluoromethyl)phenyl]benzimidazol-3-ium-1-yl]acetate iodide
Molecular Identity
S-Gboxin
[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 2-[3-methyl-2-[3-(trifluoromethyl)phenyl]benzimidazol-3-ium-1-yl]acetate iodide
PubChem CID: 137628665
2D Structure
Properties
C27H32F3IN2O2
Molecular Formula
600.50
Molecular Weight
g/mol
600.1461
Exact Mass
Da
35.1
TPSA
Good oral absorption (< 140 A²)
0
H-Bond Donors
6
H-Bond Acceptors
700
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
S-Gboxin2101317-21-73-(2-(((1R,2S,5R)-2-isopropyl-5-methylcyclohexyl)oxy)-2-oxoethyl)-1-methyl-2-(3-(trifluoromethyl)phenyl)-1H-benzo[d]imidazol-3-ium iodide[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 2-[3-methyl-2-[3-(trifluoromethyl)phenyl]benzimidazol-3-ium-1-yl]acetate;iodideC27H32F3IN2O2S-Gboxin?2101317-21-7 (iodide)orb1301877CHEMBL4787699SCHEMBL29603380DTXSID301380763GLXC-20812EX-A2979AKOS037649109AC-36866
Data from PubChem (NCBI)
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Drug Network
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