loading...| Preferred Name |
loteprednol etabonate |
|
| Synonyms |
chloromethyl 17alpha-[(ethoxycarbonyl)oxy]-11beta-hydroxy-3-oxoandrosta-1,4-diene-17beta-carboxylate |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_31784 |
|
| charge |
0 |
|
| database_cross_reference |
Drug_Central:1611 DrugBank:DB00873 Beilstein:5461012 CAS:82034-46-6 KEGG:D01689 |
|
| formula |
C24H31ClO7 |
|
| has functional parent | ||
| has role | ||
| has_exact_synonym |
chloromethyl 17alpha-[(ethoxycarbonyl)oxy]-11beta-hydroxy-3-oxoandrosta-1,4-diene-17beta-carboxylate |
|
| has_obo_namespace |
chebi_ontology |
|
| has_RxCUI |
52177 |
|
| id |
CHEBI:31784 |
|
| in_subset | ||
| inchi |
InChI=1S/C24H31ClO7/c1-4-30-21(29)32-24(20(28)31-13-25)10-8-17-16-6-5-14-11-15(26)7-9-22(14,2)19(16)18(27)12-23(17,24)3/h7,9,11,16-19,27H,4-6,8,10,12-13H2,1-3H3/t16-,17-,18-,19+,22-,23-,24-/m0/s1 |
|
| inchikey |
DMKSVUSAATWOCU-HROMYWEYSA-N |
|
| label |
loteprednol etabonate |
|
| mass |
466.95144 |
|
| monoisotopicmass |
466.17583 |
|
| notation |
CHEBI:31784 |
|
| prefixIRI |
CHEBI:31784 |
|
| prefLabel |
loteprednol etabonate |
|
| smiles |
[H][C@@]12CCC3=CC(=O)C=C[C@]3(C)[C@@]1([H])[C@@H](O)C[C@@]1(C)[C@@]2([H])CC[C@]1(OC(=O)OCC)C(=O)OCCl |
|
| subClassOf |
http://purl.obolibrary.org/obo/CHEBI_47880 http://purl.obolibrary.org/obo/CHEBI_36683 http://purl.obolibrary.org/obo/CHEBI_77166 http://purl.obolibrary.org/obo/CHEBI_47887 |