(-)-Oxyfedrine
Basic information
- CAS
15687-41-9- Standard SMILES
COc1cccc(C(=O)CCN[C@@H](C)[C@H](O)c2ccccc2)c1- InChIKey
GDYUVHBMFVMBAF-LIRRHRJNSA-N- Molecular formula
- C19H23NO3
- Average molar mass
- 313.4 g/mol
- Monoisotopic mass
- 313.1677936
Overview
Oxyfedrine is an aromatic ketone.
Names & identifiers
- Preferred name
- (-)-Oxyfedrine
- IUPAC
- 3-[[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]amino]-1-(3-methoxyphenyl)propan-1-one
- English name
- Oxyfedrine
- Molecular formula
- C19H23NO3
- Molecular weight
- 313.39
Names & synonyms
OXYFEDRINE15687-41-9OxifedrinaOxyfedrinum(-)-oxyfedrineDWL616XF1KDTXSID00234083-[[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]amino]-1-(3-methoxyphenyl)propan-1-one1-Propanone, 3-((2-hydroxy-1-methyl-2-phenylethyl)amino)-1-(3-methoxyphenyl)-, (R-(R*,S*))-OxifedrineOxiphedrinOxyphedrin
Show more names
Oxyfedrine USP/EP/BPOxyfedrine hydrochloride3-[[(1R,2S)-2-Hydroxy-1-methyl-2-phenylethyl]amino]-1-(3-methoxyphenyl)-1-propanone1-Propanone, 3-[[(1S,2R)-2-hydroxy-1-methyl-2-phenylethyl]amino]-1-(3-methoxyphenyl)-3-{[(1S,2R)-2-Hydroxy-1-methyl-2-phenylethyl]amino}-1-[3-(methyloxy)phenyl]propan-1-one(r-(r*,s*))-3-((2-hydroxy-1-methyl-2-phenylethyl)amino)-1-( 3-methoxyphenyl)-1-propanone
3-{[(1R,2S)-1-HYDROXY-1-PHENYLPROPAN-2-YL]AMINO}-1-(3-METHOXYPHENYL)PROPAN-1-ONE3-(((1R,2S)-1-hydroxy-1-phenylpropan-2-yl)amino)-1-(3-methoxyphenyl)propan-1-oneRefChem:389175DTXCID303408C01DX03OxifedrinumDl-OxyphedrinumOxyfedrinum [INN-Latin]
Database identifiers
- CAS
15687-41-9、21071-51-2- PubChem CID
- 5489013
- DTXSID
DTXSID0023408- ChEMBL
CHEMBL1651913- ChEBI
CHEBI:135343- UNII
- DWL616XF1K
- Nikkaji
- J1.161.888J
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 58.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 355
Physicochemical properties
- Melting point
- 107 · 107-109°C
- Boiling point
- 475.2 · 475.2±28.0 °C(Predicted)
- Density
- 1.122 · 1.122±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C · Hygroscopic, -20°C Freezer, Under inert atmosphere
- solubility
- DMSO (Slightly), Methanol (Slightly), Toluene (Slightly)
- pka
- 13.9 · 13.90±0.20(Predicted)
- form
- Solid
- color
- White to Off-White
- Stability
- Hygroscopic, Moisture Sensitive
- FDA UNII
- 616 XF1K · DWL616XF1K
- ATC code
- 1 DX03,C01DX53 · C01DX03,C01DX53
Chemistry & industry
Pharmacology
ATC Code
C - Cardiovascular system
QC - Cardiovascular system
MeSH Pharmacological Classification
Drugs that selectively bind to and activate beta-adrenergic receptors.
Agents that have a strengthening effect on the heart or that can increase cardiac output. They may be CARDIAC GLYCOSIDES; SYMPATHOMIMETICS; or other drugs. They are used after MYOCARDIAL INFARCT; CARDIAC SURGICAL PROCEDURES; in SHOCK; or in congestive heart failure (HEART FAILURE).
Drugs used to cause dilation of the blood vessels.
Applications
UsesOxyfedrine acts as a vasodilator affecting the coronary base flow.
Upstream & downstream products
Upstream raw materials
Additional notes
DefinitionChEBI: Oxyfedrine is an aromatic ketone.
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Compound notes
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