CHEBI:71025 - ulipristal acetate

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ChEBI Name ulipristal acetate
ChEBI ID CHEBI:71025
Definition A 20-oxo steroid obtained by acetylation of the 17-hydroxy group of (11β,17α)-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.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C30H37NO4
Net Charge 0
Average Mass 475.61910
Monoisotopic Mass 475.272
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
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
Roles Classification
Biological Role(s): progestin
A synthetic progestogen.
Application(s): contraceptive drug
A chemical substance that prevents or reduces the probability of conception.
progesterone receptor modulator
A hormone receptor modulator that acts as a complete or partial agonist or as an antagonist at the progesterone receptor.
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ChEBI Ontology
Outgoing ulipristal acetate (CHEBI:71025) has functional parent estradiol (CHEBI:23965)
ulipristal acetate (CHEBI:71025) has role contraceptive drug (CHEBI:49323)
ulipristal acetate (CHEBI:71025) has role progesterone receptor modulator (CHEBI:71027)
ulipristal acetate (CHEBI:71025) has role progestin (CHEBI:59826)
ulipristal acetate (CHEBI:71025) is a 20-oxo steroid (CHEBI:36885)
ulipristal acetate (CHEBI:71025) is a 3-oxo-Δ4 steroid (CHEBI:47909)
ulipristal acetate (CHEBI:71025) is a acetate ester (CHEBI:47622)
ulipristal acetate (CHEBI:71025) is a steroid ester (CHEBI:47880)
ulipristal acetate (CHEBI:71025) is a tertiary amino compound (CHEBI:50996)
IUPAC Name
17β-acetyl-11β-[4-(dimethylamino)phenyl]-3-oxoestra-4,9-dien-17α-yl acetate
Synonyms Sources
(11β,17α)-17-acetyl-11-[4-(dimethylamino)phenyl]-3-oxoestra-4,9-dien-17-yl acetate IUPAC
17-Acetoxy-11-(4-N,N-dimethylaminophenyl)pregna-4,9-diene-3,20-dione ChemIDplus
CDB 2914 ChemIDplus
Brand Name Source
Ella KEGG DRUG
Database Links Databases
4166 DrugCentral
D09687 KEGG DRUG
Ulipristal_acetate Wikipedia
US2007213306 Patent
US2008199511 Patent
US4954490 Patent
WO2004078709 Patent
WO2007144674 Patent
WO2008129396 Patent
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Registry Numbers Types Sources
126784-99-4 CAS Registry Number ChemIDplus
126784-99-4 CAS Registry Number KEGG DRUG
6946364 Reaxys Registry Number Reaxys
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Last Modified
22 February 2017