Phenyltrope
Basic information
- CAS
120806-32-8- Standard SMILES
CCN(Cc1ccncc1)C(=O)C(CO)c1ccccc1.CNC[C@H](O)c1cccc(O)c1- InChIKey
XHIWPLXFWGZVOP-NPULLEENSA-N- Molecular formula
- C26H33N3O4
- Average molar mass
- 451.6 g/mol
- Monoisotopic mass
- 451.24710654
Names & identifiers
- Preferred name
- Phenyltrope
- IUPAC
- N-ethyl-3-hydroxy-2-phenyl-N-(pyridin-4-ylmethyl)propanamide;3-[(1R)-1-hydroxy-2-(methylamino)ethyl]phenol
- English name
- phenyltrope
- Molecular formula
- C26H33N3O4
- Molecular weight
- 451.55792
Names & synonyms
Phenyltrope120806-32-8Phenylephrine / tropicamideBenzenemethanol, 3-hydroxy-alpha-((methylamino)methyl)-, (R)-, mixt with N-ethyl-alpha-(hydroxymethyl)-N-(4-pyridinylmethyl)benzeneacetamideN-ethyl-3-hydroxy-2-phenyl-N-(pyridin-4-ylmethyl)propanamide;3-[(1R)-1-hydroxy-2-(methylamino)ethyl]phenolBenzeneacetamide, N-ethyl-alpha-(hydroxymethyl)-N-(4-pyridinylmethyl)-, mixt with (R)-3-hydroxy-alpha-((methylamino)methyl)benzenemethanolDTXSID60923564N-Ethyl-3-hydroxy-2-phenyl-N-[(pyridin-4-yl)methyl]propanamide--3-[(1R)-1-hydroxy-2-(methylamino)ethyl]phenol (1/1)N-Ethyl-3-hydroxy-2-phenyl-N-[(pyridin-4-yl)methyl]propanamide--3-[1-hydroxy-2-(methylamino)ethyl]phenol (1/1)
Database identifiers
- CAS
120806-32-8- PubChem CID
- 149078
- DTXSID
DTXSID60923564
Properties
Computed structural properties
- Topological polar surface area
- 106 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 9
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 440
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Related reactions
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Compound notes
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