Preferred Name |
acitretin |
|
Synonyms |
9-(4-methoxy-2,3,6-trimethylphenyl)-3,7-dimethylnona-2,4,6,8-tetraenoic acid |
|
Definitions |
A retinoid that consists of 3,7-dimethylnona-2,4,6,8-tetraenoic acid having a 4-methoxy-2,3,6-trimethylphenyl group attached at position 9. |
|
ID |
http://purl.obolibrary.org/obo/CHEBI_50172 |
|
charge |
0 |
|
database_cross_reference |
LINCS:LSM-5713 Reaxys:15057225 CAS:54757-46-9 |
|
definition |
A retinoid that consists of 3,7-dimethylnona-2,4,6,8-tetraenoic acid having a 4-methoxy-2,3,6-trimethylphenyl group attached at position 9. |
|
formula |
C21H26O3 |
|
has_exact_synonym |
9-(4-methoxy-2,3,6-trimethylphenyl)-3,7-dimethylnona-2,4,6,8-tetraenoic acid |
|
has_obo_namespace |
chebi_ontology |
|
id |
CHEBI:50172 |
|
in_subset | ||
inchi |
InChI=1S/C21H26O3/c1-14(8-7-9-15(2)12-21(22)23)10-11-19-16(3)13-20(24-6)18(5)17(19)4/h7-13H,1-6H3,(H,22,23) |
|
inchikey |
IHUNBGSDBOWDMA-UHFFFAOYSA-N |
|
label |
acitretin |
|
mass |
326.42934 |
|
monoisotopicmass |
326.18819 |
|
notation |
CHEBI:50172 |
|
prefLabel |
acitretin |
|
smiles |
[H]C(=CC(C)=CC(O)=O)C=C(C)C=C([H])c1c(C)cc(OC)c(C)c1C |
|
treeView | ||
subClassOf |