S-Metoprolol sorbate
Basic information
- CAS
111337-50-9- Standard SMILES
C/C=C/C=C/C(=O)O.COCCc1ccc(OC[C@@H](O)CNC(C)C)cc1- InChIKey
DDMRAMQZWNVBGH-OHPIFWSUSA-N- Molecular formula
- C21H33NO5
- Average molar mass
- 379.5 g/mol
- Monoisotopic mass
- 379.23587315
Names & identifiers
- Preferred name
- S-Metoprolol sorbate
- IUPAC
- (2E,4E)-hexa-2,4-dienoic acid;(2S)-1-[4-(2-methoxyethyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol
Names & synonyms
S-Metoprolol sorbate111337-50-9SCHEMBL96365612-Propanol, 1-(4-(2-methoxyethyl)phenoxy)-3-((1-methylethyl)amino)-, (S)-, (E,E)-2,4-hexadienoate (salt)
Database identifiers
- CAS
111337-50-9- PubChem CID
- 6442783
Properties
Computed structural properties
- Topological polar surface area
- 88 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 11
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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