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Biological and Environmental Research Ontology
| Preferred Name | methylprednisolone acetate | |
| Synonyms |
Depo-medrol Methylprednisolone 21-acetate Depo-Methylprednisolone acetate 6alpha-Methylprednisolone acetate 6alpha-Methylprednisolone 21-acetate 11beta,17,21-Trihydroxy-6alpha-methylpregna-1,4-diene-3,20-dione 21-acetate M-Predrol (6alpha,11beta)-11,17-dihydroxy-6-methyl-3,20-dioxopregna-1,4-dien-21-yl acetate Methylprednisolone acetate |
|
| Definitions |
An acetate ester resulting from the formal condensation of the 21-hydroxy function of 6alpha-methylprednisolone compound with acetic acid. |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_6889 |
|
| alternative term |
Depo-medrol Methylprednisolone 21-acetate Depo-Methylprednisolone acetate 6alpha-Methylprednisolone acetate 6alpha-Methylprednisolone 21-acetate 11beta,17,21-Trihydroxy-6alpha-methylpregna-1,4-diene-3,20-dione 21-acetate M-Predrol (6alpha,11beta)-11,17-dihydroxy-6-methyl-3,20-dioxopregna-1,4-dien-21-yl acetate Methylprednisolone acetate
|
|
| bearer of | ||
| charge |
0
|
|
| database_cross_reference |
Beilstein:3176535 CAS:53-36-1 Drug_Central:1770 KEGG:C08179 KEGG:D00979
|
|
| definition |
An acetate ester resulting from the formal condensation of the 21-hydroxy function of 6alpha-methylprednisolone compound with acetic acid.
|
|
| formula |
C24H32O6
|
|
| has_exact_synonym |
(6alpha,11beta)-11,17-dihydroxy-6-methyl-3,20-dioxopregna-1,4-dien-21-yl acetate Methylprednisolone acetate
|
|
| has_functional_parent | ||
| has_obo_namespace |
chebi_ontology
|
|
| has_related_synonym |
Depo-medrol Methylprednisolone 21-acetate Depo-Methylprednisolone acetate 6alpha-Methylprednisolone acetate 6alpha-Methylprednisolone 21-acetate 11beta,17,21-Trihydroxy-6alpha-methylpregna-1,4-diene-3,20-dione 21-acetate M-Predrol
|
|
| id |
CHEBI:6889
|
|
| in_subset | ||
| inchi |
InChI=1S/C24H32O6/c1-13-9-16-17-6-8-24(29,20(28)12-30-14(2)25)23(17,4)11-19(27)21(16)22(3)7-5-15(26)10-18(13)22/h5,7,10,13,16-17,19,21,27,29H,6,8-9,11-12H2,1-4H3/t13-,16-,17-,19-,21+,22-,23-,24-/m0/s1
|
|
| inchikey |
PLBHSZGDDKCEHR-LFYFAGGJSA-N
|
|
| label |
methylprednisolone acetate
|
|
| mass |
416.50730
|
|
| monoisotopicmass |
416.21989
|
|
| notation |
CHEBI:6889
|
|
| prefLabel |
methylprednisolone acetate
|
|
| RO_0000087 | ||
| smiles |
C[C@H]1C[C@H]2[C@@H]3CC[C@](O)(C(=O)COC(C)=O)[C@@]3(C)C[C@H](O)[C@@H]2[C@@]2(C)C=CC(=O)C=C12
|
|
| subClassOf |
http://purl.obolibrary.org/obo/CHEBI_47880 http://purl.obolibrary.org/obo/CHEBI_47622 http://purl.obolibrary.org/obo/CHEBI_139592 http://purl.obolibrary.org/obo/CHEBI_36885 http://purl.obolibrary.org/obo/CHEBI_24261 http://purl.obolibrary.org/obo/CHEBI_77166 |
| Delete | Subject | Author | Type | Created |
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