API0232216
Adapalene
Adapalene is an anti-acne agent.
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CAS No.
106685-40-9
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Synonyms
ADAPALENE; 106685-40-9; Adapaleno
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CHEMBL ID
CHEMBL1265
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Molecule Type
Small molecule
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Compound CID
60164
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Molecular Weight (g/mol)
412.5
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Molecular Formula
C28H28O3
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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)
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InChIKey
LZCDAPDGXCYOEH-UHFFFAOYSA-N
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SMILES
COC1=C(C=C(C=C1)C2=CC3=C(C=C2)C=C(C=C3)C(=O)O)C45CC6CC(C4)CC(C6)C5
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IUPAC Name
6-[3-(1-adamantyl)-4-methoxyphenyl]naphthalene-2-carboxylic acid
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Exact Mass (Da)
412.20384475
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Monoisotopic Mass (Da)
412.20384475
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