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Oxyfedrine L-form HCl

CAT: 0931-T24579-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0931-T24579-01Size:1 mg
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CAS Number
16777-42-7
Target
Adrenergic Receptor
Related Pathways
GPCR/G Protein, Neuroscience
Purity
0.9957
Bioactivity
Oxyfedrine L-form HCl (Ildamen) is a partial agonist at beta-adrenergic receptors and acts as a coronary vasodilator and cardiotonic agent.
Smiles
C(CCN[C@H]([C@H](O)C1=CC=CC=C1)C)(=O)C2=CC(OC)=CC=C2.Cl
Molecular Formula
C19H24ClNO3
Molecular Weight
349.85
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

1-Propanone, 3-(((1S,2R)-2-hydroxy-1-methyl-2-phenylethyl)amino)-1-(3-methoxyphenyl)-, hydrochloride (1:1)
CAS Number16777-42-7
PubChem CID5489012
IUPAC Name3-[[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]amino]-1-(3-methoxyphenyl)propan-1-one;hydrochloride
Molecular FormulaC19H24ClNO3
Molecular Weight349.8
Topological Polar Surface Area58.6
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count8
Heavy Atom Count24
Formal Charge0
Complexity355
SMILES
C[C@@H]([C@@H](C1=CC=CC=C1)O)NCCC(=O)C2=CC(=CC=C2)OC.Cl
InChI
InChI=1S/C19H23NO3.ClH/c1-14(19(22)15-7-4-3-5-8-15)20-12-11-18(21)16-9-6-10-17(13-16)23-2;/h3-10,13-14,19-20,22H,11-12H2,1-2H3;1H/t14-,19-;/m0./s1
InChIKey
JMUPNNYLJGSMPK-JPJJPTBZSA-N
Chemical Structure
2D Structure
2D structure of 1-Propanone, 3-(((1S,2R)-2-hydroxy-1-methyl-2-phenylethyl)amino)-1-(3-methoxyphenyl)-, hydrochloride (1:1)
CAS: 16777-42-7
CID: 5489012
Formula: C19H24ClNO3
MW: 349.8
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight349.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count8
Exact Mass349.1444713
Monoisotopic Mass349.1444713
Topological Polar Surface Area58.6 Ų
Heavy Atom Count24
Formal Charge0
Complexity355
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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