IUPAC name
6-[3-(adamantan-1-yl)-4-methoxyphenyl]naphthalene-2-carboxylic acid
SMILES
COC1=C(C=C(C=C1)C1=CC2=C(C=C1)C=C(C=C2)C(O)=O)C12CC3CC(CC(C3)C1)C2
Compound class
Anti-Inflammatory Agents, Non-Steroidal; Dermatologic Agents; Anti-Acne Preparations; Dermatologicals; Retinoids for Topical Use in Acne; Anti-Acne Preparations for Topical Use;
Therapeutic area
For the topical treatment of comedo, papular and pustular acne (acne vulgaris) of the face, chest or back.
Common name
Adapalene
IUPAC name
6-[3-(adamantan-1-yl)-4-methoxyphenyl]naphthalene-2-carboxylic acid
SMILES
COC1=C(C=C(C=C1)C1=CC2=C(C=C1)C=C(C=C2)C(O)=O)C12CC3CC(CC(C3)C1)C2
INCHI
InChI=1S/C28H28O3/c1-31-26-7-6-23(21-2-3-22-12-24(27(29)30)5-4-20(22)11-21)13-25(26)28-14-17-8-18(15-28)10-19(9-17)16-28/h2-7,11-13,17-19H,8-10,14-16H2,1H3,(H,29,30)
FORMULA
C28H28O3
Common name
Adapalene
IUPAC name
6-[3-(adamantan-1-yl)-4-methoxyphenyl]naphthalene-2-carboxylic acid
Molecular weight
412.520
clogP
6.203
clogS
-6.706
HBond Acceptor
3
HBond Donor
1
Total Polar Surface Area
46.53
Number of Rings
6
Rotatable Bond
4
