loading...| Preferred Name |
adapalene |
|
| Synonyms |
6-(3-adamantan-1-yl-4-methoxyphenyl)naphthalene-2-carboxylic acid 6-(3-(1-Adamantyl)-4-methoxyphenyl)-2-naphthoic acid Adaferin Differine adapalene adapaleno adapalenum |
|
| Definitions |
A naphthoic acid that is CD437 in which the phenolic hydroxy group has been converted to its methyl ether. |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_31174 |
|
| charge |
0 |
|
| database_cross_reference |
PMID:11594670 Drug_Central:87 PMID:25016424 PMID:26398439 KEGG:D01112 Patent:EP199636 Wikipedia:Adapalene PMID:26483036 LINCS:LSM-37048 PMID:12833014 CAS:106685-40-9 DrugBank:DB00210 Patent:US4717720 |
|
| definition |
A naphthoic acid that is CD437 in which the phenolic hydroxy group has been converted to its methyl ether. |
|
| formula |
C28H28O3 |
|
| has functional parent | ||
| has role |
http://purl.obolibrary.org/obo/CHEBI_82665 |
|
| has_exact_synonym |
6-(3-adamantan-1-yl-4-methoxyphenyl)naphthalene-2-carboxylic acid |
|
| has_obo_namespace |
chebi_ontology |
|
| has_related_synonym |
6-(3-(1-Adamantyl)-4-methoxyphenyl)-2-naphthoic acid Adaferin Differine adapalene adapaleno adapalenum |
|
| has_RxCUI |
60223 |
|
| id |
CHEBI:31174 |
|
| in_subset | ||
| 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) |
|
| inchikey |
LZCDAPDGXCYOEH-UHFFFAOYSA-N |
|
| label |
adapalene |
|
| mass |
412.521 |
|
| monoisotopicmass |
412.20384 |
|
| notation |
CHEBI:31174 |
|
| prefLabel |
adapalene |
|
| smiles |
C1C2(CC3CC(CC1C3)C2)C4=C(C=CC(=C4)C5=CC=C6C(=C5)C=CC(=C6)C(=O)O)OC |
|
| subClassOf |
http://purl.obolibrary.org/obo/CHEBI_25384 |