loading...| Preferred Name |
sunitinib |
|
| Synonyms |
sunitinibum SU-11248 Sutent sunitinib N-[2-(diethylamino)ethyl]-5-[(Z)-(5-fluoro-2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide Sunitinib |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_38940 |
|
| alternative term |
sunitinibum SU-11248 Sutent sunitinib N-[2-(diethylamino)ethyl]-5-[(Z)-(5-fluoro-2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide Sunitinib |
|
| bearer of |
http://purl.obolibrary.org/obo/CHEBI_35610 http://purl.obolibrary.org/obo/CHEBI_50846 http://purl.obolibrary.org/obo/CHEBI_65207 http://purl.obolibrary.org/obo/CHEBI_62434 |
|
| charge |
0 |
|
| database_cross_reference |
HMDB:HMDB0015397 PMID:24402960 PMID:16916320 Wikipedia:Sunitinib PMID:24393200 PMID:24188025 DrugBank:DB01268 PMID:24521256 PMID:20406969 PMID:12531805 PMID:17327610 PMID:17962201 PMID:24403097 PMID:16845442 CAS:557795-19-4 Drug_Central:2544 PMID:19830602 PMID:21792888 PMID:18971320 |
|
| formula |
C22H27FN4O2 |
|
| has_exact_synonym |
N-[2-(diethylamino)ethyl]-5-[(Z)-(5-fluoro-2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide Sunitinib |
|
| has_functional_parent | ||
| has_obo_namespace |
chebi_ontology |
|
| has_related_synonym |
sunitinibum SU-11248 Sutent sunitinib |
|
| id |
CHEBI:38940 |
|
| in_subset | ||
| inchi |
InChI=1S/C22H27FN4O2/c1-5-27(6-2)10-9-24-22(29)20-13(3)19(25-14(20)4)12-17-16-11-15(23)7-8-18(16)26-21(17)28/h7-8,11-12,25H,5-6,9-10H2,1-4H3,(H,24,29)(H,26,28)/b17-12- |
|
| inchikey |
WINHZLLDWRZWRT-ATVHPVEESA-N |
|
| label |
sunitinib |
|
| mass |
398.47380 |
|
| monoisotopicmass |
398.21180 |
|
| notation |
CHEBI:38940 |
|
| prefLabel |
sunitinib |
|
| RO_0000087 |
http://purl.obolibrary.org/obo/CHEBI_35610 http://purl.obolibrary.org/obo/CHEBI_50846 http://purl.obolibrary.org/obo/CHEBI_65207 http://purl.obolibrary.org/obo/CHEBI_62434 |
|
| smiles |
CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c1C |
|
| subClassOf |