Nivimedone
Basic information
- CAS
49561-92-4- Standard SMILES
Cc1cc2c(cc1C)C(=O)C([N+](=O)[O-])C2=O- InChIKey
KMQFWCXRCDQFFQ-UHFFFAOYSA-N- Molecular formula
- C11H9NO4
- Average molar mass
- 219.19 g/mol
- Monoisotopic mass
- 219.05315777
Overview
Nivimedone is a small molecule drug. Nivimedone has a monoisotopic molecular weight of 219.05 Da.
Names & identifiers
- Preferred name
- Nivimedone
- IUPAC
- 5,6-dimethyl-2-nitroindene-1,3-dione
Names & synonyms
Nivimedone49561-92-4NivimedonumNivimedonaDTXSID801978411M887244YIRefChem:166174DTXCID401203321H-indene-1,3(2H)-dione, 5,6-dimethyl-2-nitro1H-IMIDAZOLE-2-((2,3-DIHYDRO-1,4-BENZODIOXIN-2-YL)METHYL)-1-ETHYL-, MONOHYDROCHLORIDE, (+-)-5,6-Dimethyl-2-Aci-Nitro-1,3-Indandione5,6-Dimethyl-2-nitro-1H-indene-1,3(2H)-dione
Show more names
Nivimedone [INN:BAN]Nivimedonum [INN-Latin]5,6-dimethyl-2-nitroindene-1,3-dioneNivimedona [INN-Spanish]1H-Indene-1,3(2H)-dione, 5,6-dimethyl-2-nitro-UNII-1M887244YIorb1740288SCHEMBL1813861
Database identifiers
- CAS
49561-92-4- PubChem CID
- 64753
- DTXSID
DTXSID80197841- ChEMBL
CHEMBL3230480- Nikkaji
- J10.020J
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 80 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 331
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Related reactions
4 records
Compound notes
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