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CHEBI:31184 - alclometasone dipropionate

Default Structure
ChEBI IDCHEBI:31184
ChEBI Namealclometasone dipropionate
Stars
DefinitionA prednisolone compound having an α-chloro substituent at the 7-position, an α-methyl substituent at the 16-position and O-propanoyl groups at the 17- and 21-positions.
Last Modified22 February 2017
DownloadsMolfile
FormulaC28H37ClO7
Net Charge0
Average Mass521.050
Monoisotopic Mass520.22278
SMILES[H][C@@]12C[C@@H](C)[C@](OC(=O)CC)(C(=O)COC(=O)CC)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])[C@H](Cl)CC2=CC(=O)C=C[C@@]21C
InChIInChI=1S/C28H37ClO7/c1-6-22(33)35-14-21(32)28(36-23(34)7-2)15(3)10-18-24-19(29)12-16-11-17(30)8-9-26(16,4)25(24)20(31)13-27(18,28)5/h8-9,11,15,18-20,24-25,31H,6-7,10,12-14H2,1-5H3/t15-,18+,19-,20+,24-,25+,26+,27+,28+/m1/s1
InChIKeyDJHCCTTVDRAMEH-DUUJBDRPSA-N
Roles Classification
Biological Role:
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:
ophthalmology drug  Any compound used for the treatment of eye conditions or eye diseases.
anti-inflammatory drug  A substance that reduces or suppresses inflammation.
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
alclometasone dipropionate (CHEBI:31184) has functional parent prednisolone (CHEBI:8378)
alclometasone dipropionate (CHEBI:31184) has role anti-inflammatory drug (CHEBI:35472)
alclometasone dipropionate (CHEBI:31184) has role antineoplastic agent (CHEBI:35610)
alclometasone dipropionate (CHEBI:31184) has role ophthalmology drug (CHEBI:66981)
alclometasone dipropionate (CHEBI:31184) is a 11β-hydroxy steroid (CHEBI:35346)
alclometasone dipropionate (CHEBI:31184) is a 20-oxo steroid (CHEBI:36885)
alclometasone dipropionate (CHEBI:31184) is a 3-oxo-Δ1,Δ4-steroid (CHEBI:77166)
alclometasone dipropionate (CHEBI:31184) is a chlorinated steroid (CHEBI:77175)
alclometasone dipropionate (CHEBI:31184) is a glucocorticoid (CHEBI:24261)
alclometasone dipropionate (CHEBI:31184) is a propanoate ester (CHEBI:36243)
alclometasone dipropionate (CHEBI:31184) is a steroid ester (CHEBI:47880)
IUPAC Name 
(7α,11β,16α)-7-chloro-11-hydroxy-16-methyl-3,20-dioxopregna-1,4-diene-17,21-diyl dipropanoate
INN  Source
alclometasonaWHO MedNet
Synonyms  Source
Alclometasone 17,21-dipropionateChEMBL
Alclometasone dipropionateKEGG DRUG
NSC-758914ChEMBL
SCH 22219ChEMBL
SCH-22219ChEMBL
Brand Name  Source
ModrasoneChEMBL
Manual XrefsDatabases
4493DrugCentral
D01820KEGG DRUG
DB00240DrugBank
Registry NumbersSources
Beilstein:6493669Beilstein
CAS:66734-13-2DrugBank
CAS:66734-13-2ChemIDplus
CAS:66734-13-2KEGG DRUG
Citations