4-[2-{3-Methyl-4-(2,2,2-trifluoroethoxy)pyridin-2-yl-methanesulfinyl}-benzimidazole-1-sulfonyl]-3-isopropyl-5-methylphenoxyacetic acid sodium salt
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Basic information
- Standard SMILES
Cc1cc(OCC(=O)[O-])cc(C(C)C)c1S(=O)(=O)n1c(S(=O)Cc2nccc(OCC(F)(F)F)c2C)nc2ccccc21.[Na+]- InChIKey
LDJUQGPKELJRQW-UHFFFAOYSA-M- Molecular formula
- C28H27F3N3NaO7S2
- Average molar mass
- 661.6 g/mol
- Monoisotopic mass
- 661.11402132
Names & identifiers
- Preferred name
- 4-[2-{3-Methyl-4-(2,2,2-trifluoroethoxy)pyridin-2-yl-methanesulfinyl}-benzimidazole-1-sulfonyl]-3-isopropyl-5-methylphenoxyacetic acid sodium salt
- IUPAC
- sodium 2-[3-methyl-4-[2-[[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methylsulfinyl]benzimidazol-1-yl]sulfonyl-5-propan-2-ylphenoxy]acetate
Names & synonyms
4-[2-{3-methyl-4-(2,2,2-trifluoroethoxy)pyridin-2-yl-methanesulfinyl}-benzimidazole-1-sulfonyl]-3-isopropyl-5-methylphenoxyacetic acid sodium saltSCHEMBL5762450
Database identifiers
- PubChem CID
- 20786367
Properties
Computed structural propertiesFilling in
- Topological polar surface area
- 168 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 13
- Rotatable bonds
- 11
- Heavy atoms
- 44
- Formal charge
- 0
- Complexity
- 1,100
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Related reactions
1 records
Compound notes
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