loading...| Preferred Name | isotretinoin | |
| Synonyms |
13-cis-retinoic acid Neovitamin A acid (7E,9E,11E,13Z)-retinoic acid isotretinoinum isotretinoin isotretinoine isotretinoino isotretinoina 13-cis-Vitamin A acid 13-RA Accutane Amnesteem Claravis cis-RA (2Z,4E6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohex-1-en-1-yl)nona-2,4,6,8-tetraenoic acid |
|
| 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 |
PMID:18077132 Patent:EP111325 HMDB:HMDB0006219 PMID:20482692 DrugBank:DB00982 KEGG:D00348 Beilstein:1885770 CAS:4759-48-2 LIPID_MAPS_instance:LMPR01090021 PMID:11606947 PMID:11866680 PMID:9807973 MeSH:D015474 SNOMEDCT:387208003 PMID:19568610 PMID:18788179 Reaxys:1885770 Drug_Central:1508 Wikipedia:Isotretinoin PMID:15304471 PMID:23676507 Patent:US4556518 SNOMEDCT:38314008 NCIt:C603 |
|
| 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 characteristic | ||
| 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_obo_namespace |
chebi_ontology |
|
| has_related_synonym |
13-cis-retinoic acid Neovitamin A acid (7E,9E,11E,13Z)-retinoic acid isotretinoinum isotretinoin isotretinoine isotretinoino isotretinoina 13-cis-Vitamin A acid 13-RA Accutane Amnesteem Claravis cis-RA |
|
| has_role | ||
| 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 |
|
| label |
isotretinoin |
|
| mass |
300.43512 |
|
| monoisotopicmass |
300.20893 |
|
| notation |
CHEBI:6067 |
|
| preferred label |
isotretinoin |
|
| prefLabel |
isotretinoin |
|
| smiles |
CC(\C=C\C1=C(C)CCCC1(C)C)=C/C=C/C(C)=C\C(O)=O |
|
| subClassOf |