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CHEBI:6888 - 6α-methylprednisolone

ChEBI IDCHEBI:6888
ChEBI Name6α-methylprednisolone
Stars
ASCII Name6alpha-methylprednisolone
DefinitionThe 6α-stereoisomer of 6-methylprednisolone.
Last Modified8 September 2020
DownloadsMolfile
FormulaC22H30O5
Net Charge0
Average Mass374.477
Monoisotopic Mass374.20932
SMILES[H][C@@]12CC[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])C[C@H](C)C2=CC(=O)C=C[C@@]21C
InChIInChI=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
InChIKeyVHRSUDSXCMQTMA-PJHHCJLFSA-N
Wikipedia
Roles Classification
Chemical Role:
environmental contaminant  Any minor or unwanted substance introduced into the environment that can have undesired effects.
Biological Roles:
xenobiotic  A xenobiotic (Greek, xenos "foreign"; bios "life") is a compound that is foreign to a living organism. Principal xenobiotics include: drugs, carcinogens and various compounds that have been introduced into the environment by artificial means.
adrenergic agent  Any agent that acts on an adrenergic receptor or affects the life cycle of an adrenergic transmitter.
Applications:
anti-inflammatory drug  A substance that reduces or suppresses inflammation.
antiemetic  A drug used to prevent nausea or vomiting. An antiemetic may act by a wide range of mechanisms: it might affect the medullary control centres (the vomiting centre and the chemoreceptive trigger zone) or affect the peripheral receptors.
neuroprotective agent  Any compound that can be used for the treatment of neurodegenerative disorders.
adrenergic agent  Any agent that acts on an adrenergic receptor or affects the life cycle of an adrenergic transmitter.
ChEBI Ontology
Outgoing Relation(s)
6α-methylprednisolone (CHEBI:6888) has role adrenergic agent (CHEBI:37962)
6α-methylprednisolone (CHEBI:6888) has role anti-inflammatory drug (CHEBI:35472)
6α-methylprednisolone (CHEBI:6888) has role antiemetic (CHEBI:50919)
6α-methylprednisolone (CHEBI:6888) has role environmental contaminant (CHEBI:78298)
6α-methylprednisolone (CHEBI:6888) has role neuroprotective agent (CHEBI:63726)
6α-methylprednisolone (CHEBI:6888) has role xenobiotic (CHEBI:35703)
6α-methylprednisolone (CHEBI:6888) is a 6-methylprednisolone (CHEBI:50366)
6α-methylprednisolone (CHEBI:6888) is a primary α-hydroxy ketone (CHEBI:139590)
6α-methylprednisolone (CHEBI:6888) is a tertiary α-hydroxy ketone (CHEBI:139592)
Incoming Relation(s)
methylprednisolone 21-suleptanic acid ester (CHEBI:156480) has functional parent 6α-methylprednisolone (CHEBI:6888)
methylprednisolone acetate (CHEBI:6889) has functional parent 6α-methylprednisolone (CHEBI:6888)
IUPAC Name 
11β,17,21-trihydroxy-6α-methylpregna-1,4-diene-3,20-dione
INNs  Source
methylprednisolonumChemIDplus
metilprednisolonaChemIDplus
methylprednisoloneKEGG DRUG
Synonyms  Source
(6α,11β)-11,17,21-trihydroxy-6-methylpregna-1,4-diene-3,20-dioneNIST Chemistry WebBook
Δ1-6α-methylhydrocortisoneNIST Chemistry WebBook
1-dehydro-6α-methylhydrocortisoneChemIDplus
MethylprednisolonChEBI
6α-methyl-11β,17α,21-triol-1,4-pregnadiene-3,20-dioneChemIDplus
Brand Names  Source
MedrolKEGG DRUG
SolometDrugBank
MedroneDrugBank
UrbasonDrugBank
MedrateChemIDplus
Manual XrefsDatabases
D00407KEGG DRUG
DB00959DrugBank
US3053832Patent
US2897218Patent
MethylprednisoloneWikipedia
HMDB0015094HMDB
1768DrugCentral
1936VSDB
Registry NumbersSources
Reaxys:2340300Reaxys
CAS:83-43-2NIST Chemistry WebBook
CAS:83-43-2ChemIDplus
Citations