IUPAC name
4-{[4-(acetyloxy)phenyl](pyridin-2-yl)methyl}phenyl acetate
SMILES
CC(=O)OC1=CC=C(C=C1)C(C1=CC=C(OC(C)=O)C=C1)C1=CC=CC=N1
Compound class
Cathartics; Laxatives; Alimentary Tract and Metabolism; Drugs for Constipation; Enemas; Contact Laxatives;
Therapeutic area
Indicated for cleansing of the colon as a preparation for colonoscopy in adults.
Common name
Bisacodyl
IUPAC name
4-{[4-(acetyloxy)phenyl](pyridin-2-yl)methyl}phenyl acetate
SMILES
CC(=O)OC1=CC=C(C=C1)C(C1=CC=C(OC(C)=O)C=C1)C1=CC=CC=N1
INCHI
InChI=1S/C22H19NO4/c1-15(24)26-19-10-6-17(7-11-19)22(21-5-3-4-14-23-21)18-8-12-20(13-9-18)27-16(2)25/h3-14,22H,1-2H3
FORMULA
C22H19NO4
Common name
Bisacodyl
IUPAC name
4-{[4-(acetyloxy)phenyl](pyridin-2-yl)methyl}phenyl acetate
Molecular weight
361.391
clogP
4.521
clogS
-5.396
HBond Acceptor
5
HBond Donor
0
Total Polar Surface Area
65.49
Number of Rings
3
Rotatable Bond
7
