CHEBI:6889 - methylprednisolone acetate

ChEBI IDCHEBI:6889
ChEBI Namemethylprednisolone acetate
Stars
DefinitionAn acetate ester resulting from the formal condensation of the 21-hydroxy function of 6α-methylprednisolone compound with acetic acid.
Last Modified7 February 2018
DownloadsMolfile
FormulaC24H32O6
Net Charge0
Average Mass416.514
Monoisotopic Mass416.21989
SMILES[H][C@@]12CC[C@](O)(C(=O)COC(C)=O)[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/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
InChIKeyPLBHSZGDDKCEHR-LFYFAGGJSA-N
Roles Classification
Biological Roles:
analgesic  An agent capable of relieving pain without the loss of consciousness or without producing anaesthesia. In addition, analgesic is a role played by a compound which is exhibited by a capability to cause a reduction of pain symptoms.
hormone  Originally referring to an endogenous compound that is formed in specialized organ or group of cells and carried to another organ or group of cells, in the same organism, upon which it has a specific regulatory function, the term is now commonly used to include non-endogenous, semi-synthetic and fully synthetic analogues of such compounds.
Applications:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
anti-inflammatory drug  A substance that reduces or suppresses inflammation.
ophthalmology drug  Any compound used for the treatment of eye conditions or eye diseases.
anti-inflammatory agent  Any compound that has anti-inflammatory effects.
anti-asthmatic agent  Any compound that has anti-asthmatic effects.
anti-anaemic agent  A compound which increases either the number of red cells or the amount of haemoglobin in the blood.
dermatologic drug  A drug used to treat or prevent skin disorders or for the routine care of skin.
analgesic  An agent capable of relieving pain without the loss of consciousness or without producing anaesthesia. In addition, analgesic is a role played by a compound which is exhibited by a capability to cause a reduction of pain symptoms.
gout suppressant  A drug that increases uric acid excretion by the kidney (uricosuric drug), decreases uric acid production (antihyperuricemic), or alleviates the pain and inflammation of acute attacks of gout.
antirheumatic drug  A drug used to treat rheumatoid arthritis.
ChEBI Ontology
Outgoing Relation(s)
methylprednisolone acetate (CHEBI:6889) has functional parent 6α-methylprednisolone (CHEBI:6888)
methylprednisolone acetate (CHEBI:6889) has role analgesic (CHEBI:35480)
methylprednisolone acetate (CHEBI:6889) has role anti-anaemic agent (CHEBI:75835)
methylprednisolone acetate (CHEBI:6889) has role anti-asthmatic agent (CHEBI:65023)
methylprednisolone acetate (CHEBI:6889) has role anti-inflammatory agent (CHEBI:67079)
methylprednisolone acetate (CHEBI:6889) has role anti-inflammatory drug (CHEBI:35472)
methylprednisolone acetate (CHEBI:6889) has role antineoplastic agent (CHEBI:35610)
methylprednisolone acetate (CHEBI:6889) has role antirheumatic drug (CHEBI:35842)
methylprednisolone acetate (CHEBI:6889) has role dermatologic drug (CHEBI:50177)
methylprednisolone acetate (CHEBI:6889) has role gout suppressant (CHEBI:35845)
methylprednisolone acetate (CHEBI:6889) has role ophthalmology drug (CHEBI:66981)
methylprednisolone acetate (CHEBI:6889) is a 11β-hydroxy steroid (CHEBI:35346)
methylprednisolone acetate (CHEBI:6889) is a 17α-hydroxy steroid (CHEBI:35342)
methylprednisolone acetate (CHEBI:6889) is a 20-oxo steroid (CHEBI:36885)
methylprednisolone acetate (CHEBI:6889) is a 3-oxo-Δ14-steroid (CHEBI:77166)
methylprednisolone acetate (CHEBI:6889) is a acetate ester (CHEBI:47622)
methylprednisolone acetate (CHEBI:6889) is a glucocorticoid (CHEBI:24261)
methylprednisolone acetate (CHEBI:6889) is a steroid ester (CHEBI:47880)
methylprednisolone acetate (CHEBI:6889) is a tertiary α-hydroxy ketone (CHEBI:139592)
IUPAC Name 
(6α,11β)-11,17-dihydroxy-6-methyl-3,20-dioxopregna-1,4-dien-21-yl acetate
Synonyms  Source
11beta,17,21-Trihydroxy-6alpha-methylpregna-1,4-diene-3,20-dione 21-acetateKEGG COMPOUND
6alpha-Methylprednisolone 21-acetateKEGG COMPOUND
6alpha-Methylprednisolone acetateChemIDplus
Depo-medrolChemIDplus
Depo-Methylprednisolone acetateChemIDplus
Methylprednisolone 21-acetateChemIDplus
Brand Names  Source
Depo-medroneChEMBL
Methylprednisolone acetate component of neo-medrol acetateChEMBL
Neo-medroneChEMBL
Manual XrefsDatabases
1770DrugCentral
C08179KEGG COMPOUND
D00979KEGG DRUG
Registry NumbersSources
Beilstein:3176535Beilstein
CAS:53-36-1KEGG COMPOUND
CAS:53-36-1ChemIDplus
Citations