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CHEBI:3001 - beclomethasone
| Formula | C22H29ClO5 |
| Net Charge | 0 |
| Average Mass | 408.922 |
| Monoisotopic Mass | 408.17035 |
| SMILES | [H][C@@]12C[C@H](C)[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1(Cl)[C@@]2([H])CCC2=CC(=O)C=C[C@@]21C |
| InChI | InChI=1S/C22H29ClO5/c1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2)21(15,23)17(26)10-20(16,3)22(12,28)18(27)11-24/h6-7,9,12,15-17,24,26,28H,4-5,8,10-11H2,1-3H3/t12-,15-,16-,17-,19-,20-,21-,22-/m0/s1 |
| InChIKey | NBMKJKDGKREAPL-DVTGEIKXSA-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: | anti-asthmatic drug A drug used to treat asthma. anti-inflammatory drug A substance that reduces or suppresses inflammation. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| beclomethasone (CHEBI:3001) has functional parent prednisolone (CHEBI:8378) |
| beclomethasone (CHEBI:3001) has parent hydride pregnane (CHEBI:8386) |
| beclomethasone (CHEBI:3001) has role anti-asthmatic drug (CHEBI:49167) |
| beclomethasone (CHEBI:3001) has role anti-inflammatory drug (CHEBI:35472) |
| beclomethasone (CHEBI:3001) is a 11β-hydroxy steroid (CHEBI:35346) |
| beclomethasone (CHEBI:3001) is a 17α-hydroxy steroid (CHEBI:35342) |
| beclomethasone (CHEBI:3001) is a 20-oxo steroid (CHEBI:36885) |
| beclomethasone (CHEBI:3001) is a 21-hydroxy steroid (CHEBI:35344) |
| beclomethasone (CHEBI:3001) is a 3-oxo-Δ1,Δ4-steroid (CHEBI:77166) |
| beclomethasone (CHEBI:3001) is a chlorinated steroid (CHEBI:77175) |
| beclomethasone (CHEBI:3001) is a corticosteroid (CHEBI:50858) |
| beclomethasone (CHEBI:3001) is a glucocorticoid (CHEBI:24261) |
| beclomethasone (CHEBI:3001) is a primary α-hydroxy ketone (CHEBI:139590) |
| beclomethasone (CHEBI:3001) is a tertiary α-hydroxy ketone (CHEBI:139592) |
| Incoming Relation(s) |
| beclomethasone dipropionate (CHEBI:3002) has functional parent beclomethasone (CHEBI:3001) |
| IUPAC Name |
|---|
| (11β,16β)-9-chloro-11,17,21-trihydroxy-16-methylpregna-1,4-diene-3,20-dione |
| INNs | Source |
|---|---|
| beclometasona | ChemIDplus |
| beclometasonum | ChemIDplus |
| beclometasone | ChemIDplus |
| Synonyms | Source |
|---|---|
| Beclomethasone | KEGG COMPOUND |
| 9-chloro-11β,17,21-trihydroxy-16β-methylpregna-1,4-diene-3,20-dione | ChemIDplus |
| 9α-chloro-16β-methylprednisolone | ChEBI |