loading...| Preferred Name |
abiraterone acetate |
|
| Synonyms |
17-(pyridin-3-yl)androsta-5,16-dien-3beta-yl acetate (3beta)-17-(pyridin-3-yl)androsta-5,16-dien-3-yl acetate 17-(3-Pyridyl)-5,16-androstadien-3beta-acetate Zytiga |
|
| Definitions |
A sterol ester obtained by formal condensation of the 3-hydroxy group of abiraterone with the carboxy group of acetic acid. A prodrug that is converted in vivo into abiraterone. Used for treatment of metastatic castrate-resistant prostate cancer. |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_68639 |
|
| charge |
0 |
|
| database_cross_reference |
PMID:20645691 PMID:21731216 PMID:20159824 PMID:20159823 PMID:22752297 PMID:21632851 Drug_Central:4176 PMID:22430753 PMID:21243537 PMID:18645193 PMID:18957947 PMID:22995653 PMID:22291466 PMID:15150570 PMID:21550166 PMID:22149426 PMID:21985170 Reaxys:7314563 PMID:22184395 PMID:22130117 PMID:19995520 PMID:19995526 PMID:19189435 PMID:23020788 PMID:20465382 Patent:US2011201563 PMID:20225998 PMID:23023354 PMID:21802835 PMID:21975570 Patent:WO2012083112 PMID:20805462 KEGG:D09701 PMID:22198164 PMID:19470933 PMID:21804589 PMID:21896467 PMID:22526411 Patent:US2008051380 PMID:22372727 PMID:20159814 PMID:20050017 Patent:WO2006021776 PMID:16809076 PMID:22123334 PMID:21171672 PMID:21836546 CAS:154229-18-2 PMID:21743483 |
|
| definition |
A sterol ester obtained by formal condensation of the 3-hydroxy group of abiraterone with the carboxy group of acetic acid. A prodrug that is converted in vivo into abiraterone. Used for treatment of metastatic castrate-resistant prostate cancer. |
|
| formula |
C26H33NO2 |
|
| has_exact_synonym |
17-(pyridin-3-yl)androsta-5,16-dien-3beta-yl acetate |
|
| has_functional_parent | ||
| has_obo_namespace |
chebi_ontology |
|
| has_related_synonym |
(3beta)-17-(pyridin-3-yl)androsta-5,16-dien-3-yl acetate 17-(3-Pyridyl)-5,16-androstadien-3beta-acetate Zytiga |
|
| id |
CHEBI:68639 |
|
| in_subset | ||
| inchi |
InChI=1S/C26H33NO2/c1-17(28)29-20-10-12-25(2)19(15-20)6-7-21-23-9-8-22(18-5-4-14-27-16-18)26(23,3)13-11-24(21)25/h4-6,8,14,16,20-21,23-24H,7,9-13,15H2,1-3H3/t20-,21-,23-,24-,25-,26+/m0/s1 |
|
| inchikey |
UVIQSJCZCSLXRZ-UBUQANBQSA-N |
|
| label |
abiraterone acetate |
|
| mass |
391.54570 |
|
| monoisotopicmass |
391.25113 |
|
| notation |
CHEBI:68639 |
|
| prefLabel |
abiraterone acetate |
|
| RO_0000087 |
http://purl.obolibrary.org/obo/CHEBI_35610 |
|
| smiles |
[H][C@@]12CC=C3C[C@H](CC[C@]3(C)[C@@]1([H])CC[C@]1(C)C(=CC[C@@]21[H])c1cccnc1)OC(C)=O |
|
| subClassOf |