The Drug-Drug Interactions Ontology

Last uploaded: February 11, 2016
Preferred Name

ulipristal acetate

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

ID

http://purl.obolibrary.org/obo/CHEBI_71025

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.

has role

http://purl.obolibrary.org/obo/CHEBI_59826

http://purl.obolibrary.org/obo/CHEBI_49323

http://purl.obolibrary.org/obo/CHEBI_71027

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

InChIKey=OOLLAFOLCSJHRE-ZHAKMVSLSA-N

label

ulipristal acetate

prefixIRI

obo2: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

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

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

subClassOf

http://purl.obolibrary.org/obo/dinto_000055

Delete Subject Author Type Created
No notes to display