XK-469, (R)-
Basic information
- CAS
157542-89-7- Standard SMILES
C[C@@H](Oc1ccc(Oc2cnc3ccc(Cl)cc3n2)cc1)C(=O)[O-].[Na+]- InChIKey
OJENKXNXJPNEPU-HNCPQSOCSA-M- Molecular formula
- C17H12ClN2NaO4
- Average molar mass
- 366.7 g/mol
- Monoisotopic mass
- 366.0383288
Names & identifiers
- Preferred name
- XK-469, (R)-
- IUPAC
- sodium (2R)-2-[4-(7-chloroquinoxalin-2-yl)oxyphenoxy]propanoate
Names & synonyms
UNII-4YM76775EYR-(+)-XK-469XK-469, (R)-4YM76775EYPropanoic acid, 2-(4-((7-chloro-2-quinoxalinyl)oxy)phenoxy)-, sodium salt (1:1), (2R)-157542-89-7XK 469R [WHO-DD]RefChem:203468XK 469RCHEMBL1433897(R)-xk-469CCG-205312
Show more names
NCGC00094480-01NCGC00094480-02NCGC00094480-03EU-0101238X 3628Q272606782-(4-((7-Chloro-2-quinoxalinyl)oxy)phenoxy)propionic acid
Database identifiers
- CAS
157542-89-7- PubChem CID
- 11957724
- ChEMBL
CHEMBL1433897- UNII
- 4YM76775EY
- Nikkaji
- J1.236.148C
Properties
Computed structural properties
- Topological polar surface area
- 84.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 437
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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