loading...| Preferred Name |
ulipristal acetate |
| Synonyms |
CDB 2914 17beta-acetyl-11beta-[4-(dimethylamino)phenyl]-3-oxoestra-4,9-dien-17alpha-yl acetate Ella 17-Acetoxy-11-(4-N,N-dimethylaminophenyl)pregna-4,9-diene-3,20-dione (11beta,17alpha)-17-acetyl-11-[4-(dimethylamino)phenyl]-3-oxoestra-4,9-dien-17-yl acetate |
| Definitions |
A 20-oxo steroid obtained by acetylation of the 17-hydroxy group of (11beta,17alpha)-17-acetyl-11-[4-(dimethylamino)phenyl]-3-oxoestra-4,9-dien-17-ol (ulipristal). A selective progesterone receptor modulator, which is employed as an emergency contraceptive. |
| ID |
http://purl.obolibrary.org/obo/CHEBI_71025 |
| charge |
0 |
| database_cross_reference |
PMID:21666089 PMID:22568731 PMID:22770793 PMID:22296075 PMID:22296076 PMID:21568368 PMID:23040122 Reaxys:6946364 Patent:US4954490 Drug_Central:4166 Patent:US2007213306 PMID:23040126 KEGG:D09687 PMID:22629083 PMID:23125326 PMID:23110788 Patent:WO2007144674 PMID:22681335 PMID:22903240 PMID:21153722 PMID:22901974 Wikipedia:Ulipristal_acetate Patent:WO2004078709 PMID:22816245 Patent:WO2008129396 PMID:22770536 PMID:22740493 PMID:22415029 PMID:22873821 CAS:126784-99-4 PMID:23050729 Patent:US2008199511 PMID:22154199 PMID:23018219 PMID:22844281 PMID:22900810 |
| definition |
A 20-oxo steroid obtained by acetylation of the 17-hydroxy group of (11beta,17alpha)-17-acetyl-11-[4-(dimethylamino)phenyl]-3-oxoestra-4,9-dien-17-ol (ulipristal). A selective progesterone receptor modulator, which is employed as an emergency contraceptive. |
| formula |
C30H37NO4 |
| has functional parent | |
| has role |
http://purl.obolibrary.org/obo/CHEBI_71027 |
| has_exact_synonym |
17beta-acetyl-11beta-[4-(dimethylamino)phenyl]-3-oxoestra-4,9-dien-17alpha-yl acetate |
| has_obo_namespace |
chebi_ontology |
| has_related_synonym |
CDB 2914 Ella 17-Acetoxy-11-(4-N,N-dimethylaminophenyl)pregna-4,9-diene-3,20-dione (11beta,17alpha)-17-acetyl-11-[4-(dimethylamino)phenyl]-3-oxoestra-4,9-dien-17-yl acetate |
| id |
CHEBI:71025 |
| in_subset | |
| inchi |
InChI=1S/C30H37NO4/c1-18(32)30(35-19(2)33)15-14-27-25-12-8-21-16-23(34)11-13-24(21)28(25)26(17-29(27,30)3)20-6-9-22(10-7-20)31(4)5/h6-7,9-10,16,25-27H,8,11-15,17H2,1-5H3/t25-,26+,27-,29-,30-/m0/s1 |
| inchikey |
OOLLAFOLCSJHRE-ZHAKMVSLSA-N |
| label |
ulipristal acetate |
| mass |
475.61910 |
| monoisotopicmass |
475.27226 |
| notation |
CHEBI:71025 |
| prefLabel |
ulipristal acetate |
| smiles |
[H][C@@]12CCC3=CC(=O)CCC3=C1[C@H](C[C@@]1(C)[C@@]2([H])CC[C@]1(OC(C)=O)C(C)=O)c1ccc(cc1)N(C)C |
| treeView |
http://purl.obolibrary.org/obo/CHEBI_47622 http://purl.obolibrary.org/obo/CHEBI_50996 http://purl.obolibrary.org/obo/CHEBI_47909 |
| subClassOf |
http://purl.obolibrary.org/obo/CHEBI_47622 http://purl.obolibrary.org/obo/CHEBI_50996 http://purl.obolibrary.org/obo/CHEBI_47909 |