loading...| Preferred Name |
abiraterone |
|
| Synonyms |
17-(pyridin-3-yl)androsta-5,16-dien-3beta-ol (3beta)-17-(pyridin-3-yl)androsta-5,16-dien-3-ol abiraterone 17-(3-Pyridyl)androsta-5,16-dien-3beta-ol |
|
| Definitions |
A 3beta-sterol that is androsta-5,16-dien-3beta-ol substituted at position 17 by a 3-pyridyl group. Administered as the O-acetate, it is used for treatment of metastatic castrate-resistant prostate cancer. |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_68642 |
|
| charge |
0 |
|
| database_cross_reference |
PMID:21878199 PMID:22500680 PMID:22915660 PMID:21242338 PMID:21857690 Wikipedia:Abiraterone PMID:22331349 Patent:US2011034428 PMID:22002259 PMID:21864180 PMID:21743442 PMID:22763809 Patent:US5604213 PMID:22266943 PMID:22753664 PMID:22373884 Patent:WO2012083112 PMID:22611169 CAS:154229-19-3 PMID:21239011 PMID:22822591 Patent:EP1336602 PMID:22451619 PMID:23024987 PMID:21864182 PMID:21864181 PMID:22402426 PMID:21729712 PMID:21808270 PMID:21807635 Reaxys:7309269 PMID:22170708 PMID:21612468 PDBeChem:AER PMID:21326154 PMID:22411952 PMID:21093995 |
|
| definition |
A 3beta-sterol that is androsta-5,16-dien-3beta-ol substituted at position 17 by a 3-pyridyl group. Administered as the O-acetate, it is used for treatment of metastatic castrate-resistant prostate cancer. |
|
| formula |
C24H31NO |
|
| has parent hydride | ||
| has role | ||
| has_exact_synonym |
17-(pyridin-3-yl)androsta-5,16-dien-3beta-ol |
|
| has_obo_namespace |
chebi_ontology |
|
| has_related_synonym |
(3beta)-17-(pyridin-3-yl)androsta-5,16-dien-3-ol abiraterone 17-(3-Pyridyl)androsta-5,16-dien-3beta-ol |
|
| id |
CHEBI:68642 |
|
| in_subset | ||
| inchi |
InChI=1S/C24H31NO/c1-23-11-9-18(26)14-17(23)5-6-19-21-8-7-20(16-4-3-13-25-15-16)24(21,2)12-10-22(19)23/h3-5,7,13,15,18-19,21-22,26H,6,8-12,14H2,1-2H3/t18-,19-,21-,22-,23-,24+/m0/s1 |
|
| inchikey |
GZOSMCIZMLWJML-VJLLXTKPSA-N |
|
| label |
abiraterone |
|
| mass |
349.50900 |
|
| monoisotopicmass |
349.24056 |
|
| notation |
CHEBI:68642 |
|
| prefLabel |
abiraterone |
|
| smiles |
[H][C@@]12CC=C3C[C@@H](O)CC[C@]3(C)[C@@]1([H])CC[C@]1(C)C(=CC[C@@]21[H])c1cccnc1 |
|
| treeView |
http://purl.obolibrary.org/obo/CHEBI_1722 |
|
| subClassOf |
http://purl.obolibrary.org/obo/CHEBI_1722 |