(-)-Synephrine
Basic information
- CAS
532-80-9- Standard SMILES
CNC[C@H](O)c1ccc(O)cc1- InChIKey
YRCWQPVGYLYSOX-VIFPVBQESA-N- Molecular formula
- C9H13NO2
- Average molar mass
- 167.2 g/mol
- Monoisotopic mass
- 167.09462866
Overview
D-synephrine is the D-enantiomer of synephrine. It is a conjugate base of a D-synephrine(1+).
Names & identifiers
- Preferred name
- (-)-Synephrine
- IUPAC
- 4-[(1R)-1-hydroxy-2-(methylamino)ethyl]phenol
Names & synonyms
(-)-Synephrine614-35-7(-)-SympatolD-synephrine4-[(1R)-1-hydroxy-2-(methylamino)ethyl]phenoll-SympatolOxedrine, (-)-Oxedrine ((-)-)UNII-Y276ILP9M0Y276ILP9M0CHEBI:119Benzenemethanol, 4-hydroxy-alpha-((methylamino)methyl)-, (-)-
Show more names
(-)-P-Hydroxy-a-[(methylamino)methyl]benzyl alcohol(-)-4-Hydroxy-a-[(methylamino)methyl]benzenemethanolBENZYL ALCOHOL, p-HYDROXY-alpha-((METHYLAMINO)METHYL)-, (-)-BENZENEMETHANOL, 4-HYDROXY-.ALPHA.-((METHYLAMINO)METHYL)-, (.ALPHA.R)-4-((1R)-1-Hydroxy-2-(Methylamino)Ethyl)Phenol(-)-4-Hydroxy-a-((methylamino)methyl)benzenemethanol(-)-p-Hydroxy-a-((methylamino)methyl)benzyl alcohol(-)-4-Hydroxy-I+--((methylamino)methyl)benzenemethanol
Database identifiers
- CAS
532-80-9、614-35-7、94-07-5- PubChem CID
- 854067
- DTXSID
DTXSID70904723- ChEMBL
CHEMBL443893- ChEBI
CHEBI:119- UNII
- Y276ILP9M0
- Nikkaji
- J56.760D
Properties
Computed structural properties
- XLogP
- -0.6
- Topological polar surface area
- 52.5 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 122
Experimental & physicochemical properties
Human DrugsPharmaceuticals
Chemistry & industry
Uses & manufacturing
Use ClassificationPharmaceuticals
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
1 records
Compound notes
Loading…