Crisaborole
4-[(1-hydroxy-3H-2,1-benzoxaborol-5-yl)oxy]benzonitrile
Molecular Identity
Crisaborole
4-[(1-hydroxy-3H-2,1-benzoxaborol-5-yl)oxy]benzonitrile
PubChem CID: 44591583
Crisaborole is a member of the class of benzoxaboroles that is 5-hydroxy-1,3-dihydro-2,1-benzoxaborole in which the phenolic hydrogen has been replaced by a 4-cyanophenyl group. A phosphodiesterase 4 inhibitor that is used for treatment of mild to moderate atopic dermatitis in children and adults. It has a role as a non-steroidal anti-inflammatory drug, an antipsoriatic and a phosphodiesterase IV inhibitor. It is a nitrile, an aromatic ether and a benzoxaborole.
2D Structure
Properties
C14H10BNO3
Molecular Formula
251.05
Molecular Weight
g/mol
251.0754
Exact Mass
Da
62.5
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
4
H-Bond Acceptors
361
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
Crisaborole906673-24-3AN-2728AN2728EucrisaAN 2728StaquiscrisaborolCrisaborole topical ointment 2%Q2R47HGR7P4-[(1-hydroxy-3H-2,1-benzoxaborol-5-yl)oxy]benzonitrile4-[(1-hydroxy-1,3-dihydro-2,1-benzoxaborol-5-yl)oxy]benzonitrileCHEBI:134677DTXSID102382314-((1-Hydroxy-1,3-dihydrobenzo(c)(1,2)oxaborol-6-yl)oxy)benzonitrile
Data from PubChem (NCBI)
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