Isoxsuprina
4-[(1S,2R)-1-hydroxy-2-[[(2R)-1-phenoxypropan-2-yl]amino]propyl]phenol
Molecular Identity
Isoxsuprina
4-[(1S,2R)-1-hydroxy-2-[[(2R)-1-phenoxypropan-2-yl]amino]propyl]phenol
PubChem CID: 11779629
2D Structure
Properties
C18H23NO3
Molecular Formula
301.40
Molecular Weight
g/mol
301.1678
Exact Mass
Da
2.8
XLogP
Drug-like (Lipinski: < 5)
61.7
TPSA
Good oral absorption (< 140 A²)
3
H-Bond Donors
4
H-Bond Acceptors
299
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
IsoxsuprinaIsoxsuprinumDilatorR15UI3245NBenzenemethanol, 4-hydroxy-alpha-(1-((1-methyl-2-phenoxyethyl)amino)ethyl)-Benzyl alcohol, p-hydroxy-alpha-(1-((1-methyl-2-phenoxyethyl)amino)ethyl)-4-[(1S,2R)-1-hydroxy-2-{[(2R)-1-phenoxypropan-2-yl]amino}propyl]phenolDTXSID90231784-((1S,2R)-1-hydroxy-2-(((2R)-1-phenoxypropan-2-yl)amino)propyl)phenolRefChem:56618DTXCID803178C04AA01206-898-2395-29-9395-28-8
Data from PubChem (NCBI)
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