The Drug-Drug Interactions Ontology - isotretinoin - Classes | NCBO BioPortal

The Drug-Drug Interactions Ontology

Last uploaded: February 11, 2016

Id	http://purl.obolibrary.org/obo/CHEBI_6067 http://purl.obolibrary.org/obo/CHEBI_6067
Preferred Name	isotretinoin
Synonyms	isotretinoinum 13-RA isotretinoina isotretinoine Neovitamin A acid (2Z,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohex-1-en-1-yl)nona-2,4,6,8-tetraenoic acid cis-RA C20H28O2 (7E,9E,11E,13Z)-retinoic acid isotretinoin 13-cis-Vitamin A acid Amnesteem (2Z,4E6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohex-1-en-1-yl)nona-2,4,6,8-tetraenoic acid 13-cis-retinoic acid Claravis Accutane isotretinoino See more See less
Type	http://www.w3.org/2002/07/owl#Class

prefLabel	isotretinoin
label	isotretinoin
ATCCode	D10AD04 D10BA01
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.
type	http://www.w3.org/2002/07/owl#Class
has role	http://purl.obolibrary.org/obo/CHEBI_50905 http://purl.obolibrary.org/obo/CHEBI_35610 http://purl.obolibrary.org/obo/CHEBI_50176
InChIKey	InChIKey=SHGAZHPCJJPHSC-XFYACQKRSA-N
AHFScode	84:92.00
Synonym	isotretinoinum 13-RA isotretinoina isotretinoine Neovitamin A acid (2Z,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohex-1-en-1-yl)nona-2,4,6,8-tetraenoic acid cis-RA C20H28O2 (7E,9E,11E,13Z)-retinoic acid isotretinoin 13-cis-Vitamin A acid Amnesteem (2Z,4E6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohex-1-en-1-yl)nona-2,4,6,8-tetraenoic acid 13-cis-retinoic acid Claravis Accutane isotretinoino See more See less
xref	Patent:US4556518 Drugs Product Database (DPD):582344 HMDB:HMDB06219 CiteXplore:15304471 Wikipedia:Isotretinoin KEGG DRUG:D00348 PharmGKB:PA450128 RxList:http://www.rxlist.com/cgi/generic/isotret.htm ChEMBL:113928 Beilstein:1885770 Wikipedia:http://en.wikipedia.org/wiki/Isotretinoin DrugBank:DB00982 CiteXplore:11866680 CiteXplore:20482692 CASRN:4759-48-2 Patent:EP111325 KEGG COMPOUND:C07058 ChEBI:6067 LIPID MAPS:LMPR01090021 Reaxys:1885770 Drugs.com:http://www.drugs.com/cdi/isotretinoin.html CiteXplore:11606947 National Drug Code Directory:0004-0155-49 CiteXplore:18788179 CiteXplore:9807973 CiteXplore:23676507 CiteXplore:19568610 CiteXplore:18077132 See more See less
CASRN	4759-48-2
prefixIRI	obo2:CHEBI_6067
related with	http://purl.obolibrary.org/obo/dinto_3327
SMILES	C\C(\C=C\C1=C(C)CCCC1(C)C)=C/C=C/C(/C)=C\C(O)=O CC(\\C=C\\C1=C(C)CCCC1(C)C)=C/C=C/C(C)=C\\C(O)=O
may interact with	http://purl.obolibrary.org/obo/CHEBI_63334 http://purl.obolibrary.org/obo/CHEBI_50845 http://purl.obolibrary.org/obo/CHEBI_27701 http://purl.obolibrary.org/obo/dinto_DB00162 http://purl.obolibrary.org/obo/CHEBI_3387 http://purl.obolibrary.org/obo/CHEBI_6805 http://purl.obolibrary.org/obo/CHEBI_27902 http://purl.obolibrary.org/obo/CHEBI_50694 http://purl.obolibrary.org/obo/CHEBI_4392 See more See less
DBname	isotretinoin
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-
DBBrand	accutane roche
subClassOf	http://purl.obolibrary.org/obo/dinto_000055

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