Details of the Active Pharmaceutical Ingredient (API)
General Information of API (ID: D00711) | |||||
---|---|---|---|---|---|
Name |
Ulipristal acetate
|
||||
Synonyms |
Click to Show/Hide the Synonyms of This API
Ulipristal acetate; 126784-99-4; EllaOne; CDB-2914; Ulipristal (acetate); CDB 2914; HRP 2000; UNII-YF7V70N02B; VA2914; (8S,11R,13S,14S,17R)-17-acetyl-11-(4-(dimethylamino)phenyl)-13-methyl-3-oxo-2,3,6,7,8,11,12,13,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl acetate; YF7V70N02B; CHEBI:71025; 17-Acetoxy-11-(4-N,N-dimethylaminophenyl)pregna-4,9-diene-3,20-dione; (11beta)-17-(Acetyloxy)-11-[4-(dimethylamino)phenyl]-19-norpregna-4,9-diene-3,20-dione; C30H37NO4; (11b)-17-(Acetyloxy)-11-[4-(dimethylamino)phenyl]-19-norpregna-4,9-diene-3,20-dione; (11beta)-17-(Acetyloxy)-11-(4-(dimethylamino)phenyl)-19-norpregna-4,9-diene-3,20-dione; (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; Ulipristal acetate [USAN]; Hrp-2000; Ulipristal acet; MFCD00899035; Ulipristal-Acetate; EllaOne; CBD 2914; Ella (TN); RTI 3021-012; C17 Epi Ulipristal Acetate; SCHEMBL544957; CHEMBL260538; GTPL7460; Ulipristal acetate (JAN/USAN); DTXSID30155294; ta[a]phenanthren-17-yl] acetate; [(8s,11r,13s,14s,17r)-17-Acetyl-11-[4-(Dimethylamino)phenyl]-13-Methyl-3-Oxo-1,2,6,7,8,11,12,14,15,16-Decahydrocyclopenta[a]phenanthren-17-Yl] Acetate; PGL-4001; ZINC3920657; BDBM50375424; Ulipristal acetate, >=98% (HPLC); AKOS026750526; CCG-269500; CS-1157; NCGC00378913-02; [(8S,11R,13S,14S,17R)-17-acetyl-11-(4-dimethylaminophenyl)-13-methyl-3-oxo-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl] acetate; AS-73950; HY-16508; RTI-3021-012; D09687; W-5201; AB01566874_01; 784A994; Q975059; J-005436; BRD-K64381438-001-03-8; Z2216208644; 5-(Hydroxymethyl)-alpha,alpha,alpha,alpha-tetramethyl-1,3-benzenediacetonitrile; (10S,11S,14R,15S,17R)-14-acetyl-17-[4-(dimethylamino)phenyl]-15-methyl-5-oxotetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-1,6-dien-14-yl acetate; (11alpha,13alpha,17beta)-17-acetyl-11-[4-(dimethylamino)phenyl]-3-oxoestra-4,9-dien-17-yl acetate; (11beta)-17-(Acetyloxy)-11-[4-(dimethylamino)phenyl]-19-norpregna-4,9-diene-3,20-dione / CDB-2914; (1R,3aS,3bS,10R,11aS)-1-acetyl-10-[4-(dimethylamino)phenyl]-11a-methyl-7-oxo-1H,2H,3H,3aH,3bH,4H,5H,7H,8H,9H,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl acetate; [(8S,11R,13S,14S,17R)-17-acetyl-11-[4-(dimethylamino)phenyl]-13-methyl-3-oxo-1,2,6,7,8,11,12,14,15,16-decahydrocyclopen; 19-Norpregna-4,9-diene-3,20-dione, 17-(acetyloxy)-11-(4-(dimethylamino)phenyl)-, (11beta)-; C17 Isomer Ulipristal Acetate; (10S,11S,14S,15S,17R)-14-Acetyl-17-[p-(dimethylamino)phenyl]-15-methyl-5-oxotetracyclo[8.7.0.02,7.011,15]heptadeca-1,6-dien-14-yl acetate; CBD 2914; VA 2914; (11b)-17-(Acetyloxy)-11-[4-(dimethylamino)phenyl]-19-norpregna-4,9-diene-3,20-dione
|
||||
Clinical Status |
Approved
|
||||
Disease Indication | Contraception | ICD-11: JA65 | [1] | ||
PubChem CID | |||||
Formula |
C30H37NO4
|
||||
Canonical SMILES |
CC(=O)[C@]1(CC[C@@H]2[C@@]1(C[C@@H](C3=C4CCC(=O)C=C4CC[C@@H]23)C5=CC=C(C=C5)N(C)C)C)OC(=O)C
|
||||
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
|
||||
Click to Show/Hide the Molecular Data (Structure/Property) of This API | |||||
Structure |
<iframe style="width: 300px; height: 300px;" frameborder="0" src="https://embed.molview.org/v1/?mode=balls&cid=130904"></iframe>
|
||||
3D MOL | 2D MOL | ||||
Physicochemical Properties | Molecular Weight | 475.6 | Topological Polar Surface Area | 63.7 | |
XlogP | 3.5 | Complexity | 984 | ||
Heavy Atom Count | 35 | Rotatable Bond Count | 5 | ||
Hydrogen Bond Donor Count | 0 | Hydrogen Bond Acceptor Count | 5 | ||
Full List of Drug Formulations (DFMs) Containing This API | ||||||
---|---|---|---|---|---|---|
Ulipristal acetate 30 mg tablet | Click to Show/Hide the Full List of Formulation(s): 1 Formulation(s) | |||||
Drug Formulation 1 | DFM Info click to show the detail info of this DFM | |||||
All DIGs | Click to Show/Hide the Full List of DIGs in This DFM
Lactose monohydrate; Magnesium stearate; Croscarmellose sodium; Povidone k30
|
|||||
Dosage Form | Oral Tablet | |||||
Company | Afaxys Pharma; Watson Pharma | |||||
DIG(s) with Biological Activity | ||||||
DIG Name | DIG Info | Representative Biological Activity of This DIG | REF | |||
Magnesium stearate | DIG Info | Albendazole monooxygenase (Protein expression downregulation) | [2] | |||
Carmellose sodium | DIG Info | Albendazole monooxygenase (Protein expression upregulation) | [2] | |||
If you find any error in data or bug in web service, please kindly report it to Dr. Zhang and Dr. Mou.