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Details

Stereochemistry ACHIRAL
Molecular Formula C28H20N2O4
Molecular Weight 448.4694
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4,4?-[[2,2?-Bis(hydroxymethyl)[1,1?-biphenyl]-4,4?-diyl]bis(oxy)]bis[benzonitrile]

SMILES

OCC1=CC(OC2=CC=C(C=C2)C#N)=CC=C1C3=CC=C(OC4=CC=C(C=C4)C#N)C=C3CO

InChI

InChIKey=UWNXSZBSYAINRD-UHFFFAOYSA-N
InChI=1S/C28H20N2O4/c29-15-19-1-5-23(6-2-19)33-25-9-11-27(21(13-25)17-31)28-12-10-26(14-22(28)18-32)34-24-7-3-20(16-30)4-8-24/h1-14,31-32H,17-18H2

HIDE SMILES / InChI

Molecular Formula C28H20N2O4
Molecular Weight 448.4694
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 Wed Apr 02 16:38:51 GMT 2025
Edited
by admin
on Wed Apr 02 16:38:51 GMT 2025
Record UNII
3TPC2E8P2C
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Crisaborole Dimer
Preferred Name English
4,4?-[[2,2?-Bis(hydroxymethyl)[1,1?-biphenyl]-4,4?-diyl]bis(oxy)]bis[benzonitrile]
Systematic Name English
Benzonitrile, 4,4?-[[2,2?-bis(hydroxymethyl)[1,1?-biphenyl]-4,4?-diyl]bis(oxy)]bis-
Systematic Name English
Code System Code Type Description
FDA UNII
3TPC2E8P2C
Created by admin on Wed Apr 02 16:38:52 GMT 2025 , Edited by admin on Wed Apr 02 16:38:52 GMT 2025
PRIMARY
CAS
2254541-79-0
Created by admin on Wed Apr 02 16:38:52 GMT 2025 , Edited by admin on Wed Apr 02 16:38:52 GMT 2025
PRIMARY
PUBCHEM
142489955
Created by admin on Wed Apr 02 16:38:52 GMT 2025 , Edited by admin on Wed Apr 02 16:38:52 GMT 2025
PRIMARY