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1187188-59-5

1187188-59-5 Structure

1187188-59-5 Structure
IdentificationBack Directory
[Name]

Benzamide, 4-[(1,3-dihydro-1-hydroxy-2,1-benzoxaborol-5-yl)oxy]-
[CAS]

1187188-59-5
[Synonyms]

Crisaborole Impurity 11
Crisaborole Impurity 53
Benzamide, 4-[(1,3-dihydro-1-hydroxy-2,1-benzoxaborol-5-yl)oxy]-
4-((1-hydroxy-1,3-dihydrobenzo[c][1,2]oxaborol-5-yl)oxy)benzamide
4-?[(1,?3-?Dihydro-?1-?hydroxy-?2,?1-?benzoxaborol-?5-?yl)?oxy]?-benzamide
[Molecular Formula]

C14H12BNO4
[MOL File]

1187188-59-5.mol
[Molecular Weight]

269.06
Chemical PropertiesBack Directory
[Melting point ]

>188°C (dec.)
[storage temp. ]

Hygroscopic, -20°C Freezer, Under inert atmosphere
[solubility ]

DMSO (Slightly), Methanol (Slightly, Heated)
[form ]

Solid
[color ]

Pale Red to Red
[Stability:]

Hygroscopic
[InChI]

InChI=1S/C14H12BNO4/c16-14(17)9-1-3-11(4-2-9)20-12-5-6-13-10(7-12)8-19-15(13)18/h1-7,18H,8H2,(H2,16,17)
[InChIKey]

BNNSMPLZLMPJQX-UHFFFAOYSA-N
[SMILES]

C(N)(=O)C1=CC=C(OC2=CC=C3B(O)OCC3=C2)C=C1
Hazard InformationBack Directory
[Uses]

4-?[(1,?3-?Dihydro-?1-?hydroxy-?2,?1-?benzoxaborol-?5-?yl)?oxy]?-benzamide is used in the preparation of substituted benzoxaborole and related boron-containing small molecules as anti-inflammatory agents.
[General Description]

4-[(1,3-Dihydro-1-hydroxy-2,1-benzoxaborol-5-yl)oxy]-benzamide, also known as Crisaborole Impurity 11, is an impurity of Crisaborole. Crisaborole topical is used to treat mild to moderate atopic dermatitis (eczema).
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