loading...| Preferred Name |
Ulipristal |
|
| Synonyms |
(8S,11R,13S,14S,17R)-17-acetyl-11-[4-(dimethylamino)phenyl]-17-hydroxy-13-methyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_177631 |
|
| charge |
0 |
|
| database_cross_reference |
DrugBank:DB08867 CAS:159811-51-5 KEGG:D09567 Chemspider:19349271 |
|
| formula |
C28H35NO3 |
|
| has_exact_synonym |
(8S,11R,13S,14S,17R)-17-acetyl-11-[4-(dimethylamino)phenyl]-17-hydroxy-13-methyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one |
|
| has_obo_namespace |
chebi_ontology |
|
| id |
CHEBI:177631 |
|
| in_subset | ||
| inchi |
InChI=1S/C28H35NO3/c1-17(30)28(32)14-13-25-23-11-7-19-15-21(31)10-12-22(19)26(23)24(16-27(25,28)2)18-5-8-20(9-6-18)29(3)4/h5-6,8-9,15,23-25,32H,7,10-14,16H2,1-4H3/t23-,24+,25-,27-,28-/m0/s1 |
|
| inchikey |
HKDLNTKNLJPAIY-WKWWZUSTSA-N |
|
| label |
Ulipristal |
|
| mass |
433.592 |
|
| monoisotopicmass |
433.26169 |
|
| notation |
CHEBI:177631 |
|
| prefLabel |
Ulipristal |
|
| smiles |
O[C@]1([C@@]2([C@]([C@]3(C([C@H](C2)C4=CC=C(N(C)C)C=C4)=C5C(CC3)=CC(=O)CC5)[H])(CC1)[H])C)C(=O)C |
|
| subClassOf |