Preferred Name |
ulipristal acetate |
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Synonyms |
Ella CDB 2914 (11beta,17alpha)-17-acetyl-11-[4-(dimethylamino)phenyl]-3-oxoestra-4,9-dien-17-yl acetate 17beta-acetyl-11beta-[4-(dimethylamino)phenyl]-3-oxoestra-4,9-dien-17alpha-yl acetate C30H37NO4 17-Acetoxy-11-(4-N,N-dimethylaminophenyl)pregna-4,9-diene-3,20-dione |
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ID |
http://purl.obolibrary.org/obo/CHEBI_71025 |
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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. |
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has role |
http://purl.obolibrary.org/obo/CHEBI_59826 |
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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 |
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InChIKey |
InChIKey=OOLLAFOLCSJHRE-ZHAKMVSLSA-N |
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label |
ulipristal acetate |
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prefixIRI |
obo2:CHEBI_71025 |
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prefLabel |
ulipristal acetate |
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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 |
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Synonym |
Ella CDB 2914 (11beta,17alpha)-17-acetyl-11-[4-(dimethylamino)phenyl]-3-oxoestra-4,9-dien-17-yl acetate 17beta-acetyl-11beta-[4-(dimethylamino)phenyl]-3-oxoestra-4,9-dien-17alpha-yl acetate C30H37NO4 17-Acetoxy-11-(4-N,N-dimethylaminophenyl)pregna-4,9-diene-3,20-dione |
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xref |
CASRN:126784-99-4 CiteXplore:22415029 CiteXplore:22154199 CiteXplore:22900810 CiteXplore:23050729 CiteXplore:23125326 CiteXplore:21666089 CiteXplore:22873821 Patent:WO2008129396 CiteXplore:23040126 Reaxys:6946364 CiteXplore:22296076 Patent:WO2004078709 ChEMBL:531376 CiteXplore:22296075 CiteXplore:22740493 Patent:US4954490 Wikipedia:Ulipristal_acetate CiteXplore:23018219 CiteXplore:23110788 CiteXplore:22568731 CiteXplore:22629083 CiteXplore:22816245 CiteXplore:21153722 CiteXplore:22770536 CiteXplore:22844281 CiteXplore:21568368 CiteXplore:22770793 CiteXplore:22901974 CiteXplore:23040122 KEGG DRUG:D09687 CiteXplore:22681335 Patent:US2007213306 Patent:US2008199511 Patent:WO2007144674 CiteXplore:22903240 |
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subClassOf |