Epetraborole
3-[[(3S)-3-(aminomethyl)-1-hydroxy-3H-2,1-benzoxaborol-7-yl]oxy]propan-1-ol
Molecular Identity
Epetraborole
3-[[(3S)-3-(aminomethyl)-1-hydroxy-3H-2,1-benzoxaborol-7-yl]oxy]propan-1-ol
PubChem CID: 46836890
2D Structure
Properties
C11H16BNO4
Molecular Formula
237.06
Molecular Weight
g/mol
237.1172
Exact Mass
Da
84.9
TPSA
Good oral absorption (< 140 A²)
3
H-Bond Donors
5
H-Bond Acceptors
244
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
Epetraborole1093643-37-8GSK-2251052GSK2251052AN3365epetraborol6MC93Z2DF9AN-33653-[[(3S)-3-(aminomethyl)-1-hydroxy-3H-2,1-benzoxaborol-7-yl]oxy]propan-1-ol1-Propanol, 3-(((3S)-3-(aminomethyl)-1,3-dihydro-1-hydroxy-2,1-benzoxaborol-7-yl)oxy)-DTXSID20148913epetraborolum3-(((3S)-3-(aminomethyl)-1-hydroxy-3H-2,1-benzoxaborol-7-yl)oxy)propan-1-olRefChem:137087DTXCID1071404
Data from PubChem (NCBI)
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Drug Network
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