Basic information
- CAS
57441-90-4- Standard SMILES
Cc1cc2c(=O)c(=[N+]([O-])[O-])c(=O)c2cc1C.[Na+]- InChIKey
KGLVEXSGYXXSOJ-UHFFFAOYSA-N- Molecular formula
- C11H8NNaO4
- Average molar mass
- 241.17 g/mol
- Monoisotopic mass
- 241.03510202
Names & identifiers
- Preferred name
- Nivimedone sodium anhydrous
- IUPAC
- sodium (5,6-dimethyl-1,3-dioxoinden-2-ylidene)-dioxidoazanium
- English name
- Nivimedone
- Molecular weight
- 0
Names & synonyms
57441-90-4Nivimedone sodium anhydrous50HX07BAJUNS00122898Q272607895,6-DIMETHYL-2-ACI-NITRO-1,3-INDANDIONE SODIUM SALTsodium;(5,6-dimethyl-1,3-dioxoinden-2-ylidene)-dioxidoazanium1H-Indene-1,3(2H)-dione, 5,6-dimethyl-2-nitro-, ion(1-), sodium1H-INDENE-1,3(2H)-DIONE, 5,6-DIMETHYL-2-NITRO-, ION(1-), SODIUM (1:1)5,6-Dimethyl-2-(sodio-aci-nitro)-1,3-indanedione
Database identifiers
- CAS
57441-90-4- PubChem CID
- 64752
- UNII
- 50HX07BAJU
Properties
Computed structural properties
- Topological polar surface area
- 80 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 353
Physicochemical properties
- FDA UNII
- 50 HX07BAJU · 50HX07BAJU
Chemistry & industry
Applications
UsesAnti-allergic.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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