Molecular Identity
Adapalene
6-[3-(1-adamantyl)-4-methoxyphenyl]naphthalene-2-carboxylic acid
PubChem CID: 60164
Adapalene is a naphthoic acid that is CD437 in which the phenolic hydroxy group has been converted to its methyl ether. It has a role as a non-steroidal anti-inflammatory drug, a dermatologic drug and an EC 2.7.11.22 (cyclin-dependent kinase) inhibitor. It is a monocarboxylic acid, a naphthoic acid and a member of adamantanes. It is functionally related to a CD437.
2D Structure
Properties
C28H28O3
Molecular Formula
412.50
Molecular Weight
g/mol
412.2038
Exact Mass
Da
7.7
XLogP
Above Lipinski threshold
46.5
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
3
H-Bond Acceptors
644
Complexity
SMILES
Canonical SMILES
SMILES: COC1=C(C=C(C=C1)C2=CC3=C(C=C2)C=C(C=C3)C(=O)O)C45CC6CC(C4)CC(C6)C5Isomeric SMILES
SMILES: COC1=C(C=C(C=C1)C2=CC3=C(C=C2)C=C(C=C3)C(=O)O)C45CC6CC(C4)CC(C6)C5Synonyms(20)
ADAPALENE106685-40-9DifferinAdaferinAdapalenoCD-271AdapalenumDifferineCD 2716-(3-(1-Adamantyl)-4-methoxyphenyl)-2-naphthoic acidCD2716-[3-(1-Adamantyl)-4-methoxyphenyl]-2-naphthoic acidDTXSID50464816-(4-Methoxy-3-tricyclo[3.3.1.13,7]dec-1-ylphenyl)-2-naphthalenecarboxylic acid1L4806J2QF
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Adapalene
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