Basic information
- CAS
862464-58-2- Standard SMILES
CCC[C@@H](Nc1c(Cc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1ccc(C)o1.O- InChIKey
OVPWPDFETBKAQQ-UNTBIKODSA-N- Molecular formula
- C23H28N2O6
- Average molar mass
- 428.5 g/mol
- Monoisotopic mass
- 428.19473662
Names & identifiers
- Preferred name
- 2-Hydroxy-N,N-dimethyl-3-((2-((1R)-1-(5-methylfuran-2-yl)propyl)amine)-3,4-dioxocyclobut-1-enyl)amino)benzamide monohydrate
- IUPAC
- 2-hydroxy-N,N-dimethyl-3-[[2-[[(1R)-1-(5-methylfuran-2-yl)butyl]amino]-3,4-dioxocyclobuten-1-yl]methyl]benzamide;hydrate
Names & synonyms
Navarixin [USAN:INN]UNII-7V3BY6G5387V3BY6G538SCH 5271232-Hydroxy-N,N-dimethyl-3-((2-((1R)-1-(5-methylfuran-2-yl)propyl)amine)-3,4- dioxocyclobut-1-enyl)amino)benzamide monohydrateDTXSID20235453Benzamide, 2-hydroxy-N,N-dimethyl-3-((2-(((1R)-1-(5-methyl-2-furanyl)propyl)amino)- 3,4-dioxo-1-cyclobuten-1-yl)amino)-, hydrate (1:1)2-Hydroxy-N,N-dimethyl-3-[(2-{[(1R)-1-(5-methyl-2-furyl)propyl]amino}-3,4-dioxo-1-cyclobuten-1-yl)amino]benzamide hydrate (1:1)2-Hydroxy-N,N-dimethyl-3-[(2-{[(1R)-1-(5-methylfuran-2-yl)butyl]amino}-3,4-dioxocyclobut-1-en-1-yl)methyl]benzamide--water (1/1)
Database identifiers
- CAS
862464-58-2- PubChem CID
- 71587828
- DTXSID
DTXSID20235453
Properties
Computed structural properties
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 716
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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