Preferred Name |
isotretinoin |
|
Synonyms |
(2Z,4E6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohex-1-en-1-yl)nona-2,4,6,8-tetraenoic acid isotretinoinum 13-RA isotretinoina isotretinoine Neovitamin A acid cis-RA (7E,9E,11E,13Z)-retinoic acid isotretinoin 13-cis-Vitamin A acid Amnesteem 13-cis-retinoic acid Claravis Accutane isotretinoino |
|
Definitions |
A retinoic acid that is all-trans-retinoic acid in which the double bond which is alpha,beta- to the carboxy group is isomerised to Z configuration. A synthetic retinoid, it is used for the treatment of severe cases of acne and other skin diseases. |
|
ID |
http://purl.obolibrary.org/obo/CHEBI_6067 |
|
charge |
0 |
|
database_cross_reference |
Drug_Central:1508 Patent:US4556518 PMID:9807973 LIPID_MAPS_instance:LMPR01090021 Wikipedia:Isotretinoin Beilstein:1885770 PMID:18788179 DrugBank:DB00982 PMID:15304471 Patent:EP111325 PMID:23676507 PMID:18077132 PMID:20482692 Reaxys:1885770 KEGG:D00348 CAS:4759-48-2 PMID:11606947 PMID:19568610 PMID:11866680 HMDB:HMDB0006219 |
|
definition |
A retinoic acid that is all-trans-retinoic acid in which the double bond which is alpha,beta- to the carboxy group is isomerised to Z configuration. A synthetic retinoid, it is used for the treatment of severe cases of acne and other skin diseases. |
|
formula |
C20H28O2 |
|
has exact synonym |
(2Z,4E6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohex-1-en-1-yl)nona-2,4,6,8-tetraenoic acid |
|
has role |
http://purl.obolibrary.org/obo/CHEBI_50905 |
|
has_obo_namespace |
chebi_ontology |
|
has_related_synonym |
isotretinoinum 13-RA isotretinoina isotretinoine Neovitamin A acid cis-RA (7E,9E,11E,13Z)-retinoic acid isotretinoin 13-cis-Vitamin A acid Amnesteem 13-cis-retinoic acid Claravis Accutane isotretinoino |
|
id |
CHEBI:6067 |
|
in_subset | ||
inchi |
InChI=1S/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14H,7,10,13H2,1-5H3,(H,21,22)/b9-6+,12-11+,15-8+,16-14- |
|
inchikey |
SHGAZHPCJJPHSC-XFYACQKRSA-N |
|
is conjugate acid of | ||
label |
isotretinoin |
|
mass |
300.43512 |
|
monoisotopicmass |
300.20893 |
|
notation |
CHEBI:6067 |
|
prefLabel |
isotretinoin |
|
smiles |
CC(\C=C\C1=C(C)CCCC1(C)C)=C/C=C/C(C)=C\C(O)=O |
|
subClassOf |