loading...| Preferred Name |
cabazitaxel |
|
| Synonyms |
(2alpha,5beta,7beta,10beta,13alpha)-4-acetoxy-13-({(2R,3S)-3-[(tert-butoxycarbonyl)amino]-2-hydroxy-3-phenylpropanoyl}oxy)-1-hydroxy-7,10-dimethoxy-9-oxo-5,20-epoxytax-11-en-2-yl benzoate cabazitaxel cabazitaxelum |
|
| Definitions |
A tetracyclic diterpenoid that is 10-deacetylbaccatin III having O-methyl groups attached at positions 7 and 10 as well as an O-(2R,3S)-3-[(tert-butoxycarbonyl)amino]-2-hydroxy-3-phenylpropanoyl group attached at position 13. Acts as a microtubule inhibitor, binds tubulin and promotes microtubule assembly and simultaneously inhibits disassembly. |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_63584 |
|
| charge |
0 |
|
| database_cross_reference |
Wikipedia:Cabazitaxel KEGG:D09755 PMID:22048000 PMID:21748753 PMID:21734586 Reaxys:14351224 CAS:183133-96-2 Drug_Central:4153 PMID:22229405 PMID:21455038 PMID:21770474 PMID:21463139 DrugBank:DB06772 PMID:21406025 PMID:21461278 PMID:22079047 PMID:21448449 PMID:21695098 PMID:21339064 PMID:21174534 PMID:22111007 |
|
| formula |
C45H57NO14 |
|
| has functional parent | ||
| has role | ||
| has_exact_synonym |
(2alpha,5beta,7beta,10beta,13alpha)-4-acetoxy-13-({(2R,3S)-3-[(tert-butoxycarbonyl)amino]-2-hydroxy-3-phenylpropanoyl}oxy)-1-hydroxy-7,10-dimethoxy-9-oxo-5,20-epoxytax-11-en-2-yl benzoate |
|
| has_obo_namespace |
chebi_ontology |
|
| has_related_synonym |
cabazitaxel cabazitaxelum |
|
| has_RxCUI |
996051 |
|
| id |
CHEBI:63584 |
|
| in_subset | ||
| inchi |
InChI=1S/C45H57NO14/c1-24-28(57-39(51)33(48)32(26-17-13-11-14-18-26)46-40(52)60-41(3,4)5)22-45(53)37(58-38(50)27-19-15-12-16-20-27)35-43(8,36(49)34(55-10)31(24)42(45,6)7)29(54-9)21-30-44(35,23-56-30)59-25(2)47/h11-20,28-30,32-35,37,48,53H,21-23H2,1-10H3,(H,46,52)/t28-,29-,30+,32-,33+,34+,35-,37-,43+,44-,45+/m0/s1 |
|
| inchikey |
BMQGVNUXMIRLCK-OAGWZNDDSA-N |
|
| label |
cabazitaxel |
|
| mass |
835.93240 |
|
| monoisotopicmass |
835.37791 |
|
| notation |
CHEBI:63584 |
|
| prefixIRI |
CHEBI:63584 |
|
| prefLabel |
cabazitaxel |
|
| smiles |
[H][C@]12[C@H](OC(=O)c3ccccc3)[C@]3(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)c4ccccc4)C(C)=C([C@@H](OC)C(=O)[C@]1(C)[C@H](C[C@H]1OC[C@@]21OC(C)=O)OC)C3(C)C |
|
| textual definition |
A tetracyclic diterpenoid that is 10-deacetylbaccatin III having O-methyl groups attached at positions 7 and 10 as well as an O-(2R,3S)-3-[(tert-butoxycarbonyl)amino]-2-hydroxy-3-phenylpropanoyl group attached at position 13. Acts as a microtubule inhibitor, binds tubulin and promotes microtubule assembly and simultaneously inhibits disassembly. |
|
| subClassOf |