Basic information
- CAS
84456-44-0- Standard SMILES
CC(C)CC(NC(=O)C1OC1C(=O)[O-])C(=O)N1CCN(c2ccccn2)CC1.[Na+]- InChIKey
HJRJWEDSQJSTGS-UHFFFAOYSA-M- Molecular formula
- C19H25N4NaO5
- Average molar mass
- 412.4 g/mol
- Monoisotopic mass
- 412.17226419
Names & identifiers
- Preferred name
- oxiranecarboxylic acid, 3-(((3-methyl-1-((4-(2-pyridinyl)-1-piperazinyl)carbonyl)butyl)amino)carbonhyl)-, monosodium salt
- IUPAC
- sodium 3-[[4-methyl-1-oxo-1-(4-pyridin-2-ylpiperazin-1-yl)pentan-2-yl]carbamoyl]oxirane-2-carboxylate
Names & synonyms
84456-44-0Oxiranecarboxylic acid, 3-(((3-methyl-1-((4-(2-pyridinyl)-1-piperazinyl)carbonyl)butyl)amino)carbonhyl)-, monosodium saltRefChem:367431SCHEMBL10862136
Database identifiers
- CAS
84456-44-0- PubChem CID
- 23711642
Properties
Computed structural properties
- Topological polar surface area
- 118 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 597
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…