loading...| Preferred Name |
cobimetinib fumarate |
| Synonyms |
bis[(2S)-2-{1-[3,4-difluoro-2-(2-fluoro-4-iodoanilino)benzoyl]-3-hydroxyazetidin-3-yl}piperidin-1-ium] (2E)-but-2-enedioate Xl-518 hemifumarate cobimetinib GDC-0973 hemifumarate Cobimetinib hemifumarate COTELLIC |
| Definitions |
A fumarate salt prepared from cobimetinib by reaction of one molecule of fumaric acid for every two molecules of cobimetinib. An inhibitor of mitogen-activated protein kinase that is used in combination with vemurafenib for the treatment of patients with unresectable or metastatic melanoma. |
| ID |
http://purl.obolibrary.org/obo/CHEBI_90853 |
| charge |
0 |
| database_cross_reference |
Wikipedia:Cobimetinib DrugBank:DB05239 PMID:26681900 CAS:1369665-02-0 KEGG:D10615 |
| definition |
A fumarate salt prepared from cobimetinib by reaction of one molecule of fumaric acid for every two molecules of cobimetinib. An inhibitor of mitogen-activated protein kinase that is used in combination with vemurafenib for the treatment of patients with unresectable or metastatic melanoma. |
| formula |
C46H46F6I2N6O8 |
| has part | |
| has role | |
| has_exact_synonym |
bis[(2S)-2-{1-[3,4-difluoro-2-(2-fluoro-4-iodoanilino)benzoyl]-3-hydroxyazetidin-3-yl}piperidin-1-ium] (2E)-but-2-enedioate |
| has_obo_namespace |
chebi_ontology |
| has_related_synonym |
Xl-518 hemifumarate cobimetinib GDC-0973 hemifumarate Cobimetinib hemifumarate COTELLIC |
| id |
CHEBI:90853 |
| in_subset | |
| inchi |
InChI=1S/2C21H21F3IN3O2.C4H4O4/c2*22-14-6-5-13(19(18(14)24)27-16-7-4-12(25)9-15(16)23)20(29)28-10-21(30,11-28)17-3-1-2-8-26-17;5-3(6)1-2-4(7)8/h2*4-7,9,17,26-27,30H,1-3,8,10-11H2;1-2H,(H,5,6)(H,7,8)/b;;2-1+/t2*17-;/m00./s1 |
| inchikey |
RESIMIUSNACMNW-BXRWSSRYSA-N |
| label |
cobimetinib fumarate |
| mass |
1178.694 |
| monoisotopicmass |
1178.13707 |
| notation |
CHEBI:90853 |
| prefLabel |
cobimetinib fumarate |
| smiles |
C1=C(C(=C(C(=C1)C(N2CC(C2)(O)[C@H]3NCCCC3)=O)NC4=CC=C(C=C4F)I)F)F.C1=C(C(=C(C(=C1)C(N2CC(C2)(O)[C@H]3NCCCC3)=O)NC4=CC=C(C=C4F)I)F)F.C(C(O)=O)=C/C(O)=O |
| treeView | |
| subClassOf |
| Delete | Mapping To | Ontology | Source |
|---|---|---|---|
| http://ncicb.nci.nih.gov/xml/owl/EVS/Thesaurus.owl#C166932 | National Cancer Institute Thesaurus / 美国国家癌症研究所词典 | LOOM |