U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C14H10BNO3
Molecular Weight 251.045
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Crisaborole m-isomer

SMILES

OB1OCC2=CC(OC3=CC(=CC=C3)C#N)=CC=C12

InChI

InChIKey=RUQIPEQILCQEGE-UHFFFAOYSA-N
InChI=1S/C14H10BNO3/c16-8-10-2-1-3-12(6-10)19-13-4-5-14-11(7-13)9-18-15(14)17/h1-7,17H,9H2

HIDE SMILES / InChI

Molecular Formula C14H10BNO3
Molecular Weight 251.045
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 19:13:06 GMT 2023
Edited
by admin
on Sat Dec 16 19:13:06 GMT 2023
Record UNII
RY5P9BKG47
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Crisaborole m-isomer
Common Name English
3-[(1,3-Dihydro-1-hydroxy-2,1-benzoxaborol-5-yl)oxy]benzonitrile
Systematic Name English
Benzonitrile, 3-[(1,3-dihydro-1-hydroxy-2,1-benzoxaborol-5-yl)oxy]-
Systematic Name English
Code System Code Type Description
CAS
906673-42-5
Created by admin on Sat Dec 16 19:13:06 GMT 2023 , Edited by admin on Sat Dec 16 19:13:06 GMT 2023
PRIMARY
PUBCHEM
25010446
Created by admin on Sat Dec 16 19:13:06 GMT 2023 , Edited by admin on Sat Dec 16 19:13:06 GMT 2023
PRIMARY
FDA UNII
RY5P9BKG47
Created by admin on Sat Dec 16 19:13:06 GMT 2023 , Edited by admin on Sat Dec 16 19:13:06 GMT 2023
PRIMARY