CID 9819902
Basic information
- CAS
113403-10-4- Standard SMILES
CC(C)Cc1ccc([C@H](C)C(=O)[O-])cc1.N[C@@H](CCCC[NH3+])C(=O)O- InChIKey
IHHXIUAEPKVVII-PTKYJSHISA-N- Molecular formula
- C19H32N2O4
- Average molar mass
- 352.5 g/mol
- Monoisotopic mass
- 352.23620751
Names & identifiers
- Preferred name
- CID 9819902
- IUPAC
- [(5S)-5-amino-5-carboxypentyl]azanium;(2S)-2-[4-(2-methylpropyl)phenyl]propanoate
- English name
- Dexibuprofen lysine (innm)
- Molecular formula
- C19H32N2O4
- Molecular weight
- 352.46838
Names & synonyms
DoctrinL669455L-669455L 669455L-669,455DEXIBUPROFEN lysinateIbuprofen Impurity 42Dexibuprofen lysine (innm)(2s)-2-(4-isobutylphenyl)propanoic acid - l-lysine hydrate (1:1:1)
Database identifiers
- CAS
113403-10-4- PubChem CID
- 9819902
Properties
Computed structural properties
- Topological polar surface area
- 131 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 303
Physicochemical properties
- solubility
- soluble in Methanol, Water
- form
- Solid
- color
- Off-White to Light Yellow
- FDA UNII
- 5 VWM9PYNC · B5VWM9PYNC
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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