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Chemical Entities of Biological Interest Ontology
Last uploaded:
January 1, 2025
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| Preferred Name | 6alpha-methylprednisolone | |
| Synonyms |
Medrone metilprednisolona methylprednisolone methylprednisolonum Delta(1)-6alpha-methylhydrocortisone Medrol 6alpha-methyl-11beta,17alpha,21-triol-1,4-pregnadiene-3,20-dione Solomet (6alpha,11beta)-11,17,21-trihydroxy-6-methylpregna-1,4-diene-3,20-dione Urbason Medrate 1-dehydro-6alpha-methylhydrocortisone Methylprednisolon 11beta,17,21-trihydroxy-6alpha-methylpregna-1,4-diene-3,20-dione |
|
| Definitions |
The 6alpha-stereoisomer of 6-methylprednisolone. |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_6888 |
|
| charge |
0
|
|
| database_cross_reference |
KEGG:D00407 Patent:US3053832 Reaxys:2340300 PMID:25232411 Patent:US2897218 HMDB:HMDB0015094 Drug_Central:1768 CAS:83-43-2 Wikipedia:Methylprednisolone VSDB:1936 DrugBank:DB00959
|
|
| definition |
The 6alpha-stereoisomer of 6-methylprednisolone.
|
|
| formula |
C22H30O5
|
|
| has role |
http://purl.obolibrary.org/obo/CHEBI_37962 http://purl.obolibrary.org/obo/CHEBI_35703 http://purl.obolibrary.org/obo/CHEBI_50919 http://purl.obolibrary.org/obo/CHEBI_35472 |
|
| has_exact_synonym |
11beta,17,21-trihydroxy-6alpha-methylpregna-1,4-diene-3,20-dione
|
|
| has_obo_namespace |
chebi_ontology
|
|
| has_related_synonym |
Medrone metilprednisolona methylprednisolone methylprednisolonum Delta(1)-6alpha-methylhydrocortisone Medrol 6alpha-methyl-11beta,17alpha,21-triol-1,4-pregnadiene-3,20-dione Solomet (6alpha,11beta)-11,17,21-trihydroxy-6-methylpregna-1,4-diene-3,20-dione Urbason Medrate 1-dehydro-6alpha-methylhydrocortisone Methylprednisolon
|
|
| id |
CHEBI:6888
|
|
| in_subset | ||
| inchi |
InChI=1S/C22H30O5/c1-12-8-14-15-5-7-22(27,18(26)11-23)21(15,3)10-17(25)19(14)20(2)6-4-13(24)9-16(12)20/h4,6,9,12,14-15,17,19,23,25,27H,5,7-8,10-11H2,1-3H3/t12-,14-,15-,17-,19+,20-,21-,22-/m0/s1
|
|
| inchikey |
VHRSUDSXCMQTMA-PJHHCJLFSA-N
|
|
| label |
6alpha-methylprednisolone
|
|
| mass |
374.47060
|
|
| monoisotopicmass |
374.20932
|
|
| notation |
CHEBI:6888
|
|
| prefLabel |
6alpha-methylprednisolone
|
|
| smiles |
C[C@H]1C[C@H]2[C@@H]3CC[C@](O)(C(=O)CO)[C@@]3(C)C[C@H](O)[C@@H]2[C@@]2(C)C=CC(=O)C=C12
|
|
| treeView |
http://purl.obolibrary.org/obo/CHEBI_139590 |
|
| subClassOf |
http://purl.obolibrary.org/obo/CHEBI_139590 |
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