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Crisaborole

CAT: 1299-RM-C181900-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-C181900-01Size:10 mg
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CAS Number
906673-24-3
Synonyms
4- ((1-hydroxy-1,3-dihydrobenzo[c][1,2]oxaborol-5-yl) oxy) benzonitrile
Molecular Formula
C14H10BNO3
Molecular Weight
251.05
Target Alternative Name
Crisaborole
Product Name Synonym
4- ((1-hydroxy-1,3-dihydrobenzo[c][1,2]oxaborol-5-yl) oxy) benzonitrile

Chemical Information

Crisaborole

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of the class of benzoxaboroles that is 5-hydroxy-1,3-dihydro-2,1-benzoxaborole in which the phenolic hydrogen has been replaced by a 4-cyanophenyl group.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.

CAS Number906673-24-3
PubChem CID44591583
IUPAC Name4-[(1-hydroxy-3H-2,1-benzoxaborol-5-yl)oxy]benzonitrile
Molecular FormulaC14H10BNO3
Molecular Weight251.05
Topological Polar Surface Area62.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count19
Formal Charge0
Complexity361
SMILES
B1(C2=C(CO1)C=C(C=C2)OC3=CC=C(C=C3)C#N)O
InChI
InChI=1S/C14H10BNO3/c16-8-10-1-3-12(4-2-10)19-13-5-6-14-11(7-13)9-18-15(14)17/h1-7,17H,9H2
InChIKey
USZAGAREISWJDP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Crisaborole
CAS: 906673-24-3
CID: 44591583
Formula: C14H10BNO3
MW: 251.05
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight251.05
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass251.0753733
Monoisotopic Mass251.0753733
Topological Polar Surface Area62.5 Ų
Heavy Atom Count19
Formal Charge0
Complexity361
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
T4285-01Crisaborole
200252Crisaborole (AN2728)
HY-10978SCrisaborole-d4
EQD54179-01Crisaborole diamer
HY-10978R-01Crisaborole (Standard)
AR-B01353-01Crisaborole Impurity A
A12776-50Crisaborole (AN2728) 50mg
A12776-100Crisaborole (AN2728) 100mg
AR-C03703-01Crisaborole m-Isomer
AR-C03701-01Crisaborole Impurity 3

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