EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:32132 - dexamethasone sodium m-sulfobenzoate
| Formula | C29H32FO9S.Na |
| Net Charge | 0 |
| Average Mass | 598.621 |
| Monoisotopic Mass | 598.16488 |
| SMILES | [H][C@@]12C[C@@H](C)[C@](O)(C(=O)COC(=O)c3cccc(S(=O)(=O)[O-])c3)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])CCC2=CC(=O)C=C[C@@]21C.[Na+] |
| InChI | InChI=1S/C29H33FO9S.Na/c1-16-11-22-21-8-7-18-13-19(31)9-10-26(18,2)28(21,30)23(32)14-27(22,3)29(16,35)24(33)15-39-25(34)17-5-4-6-20(12-17)40(36,37)38;/h4-6,9-10,12-13,16,21-23,32,35H,7-8,11,14-15H2,1-3H3,(H,36,37,38);/q;+1/p-1/t16-,21+,22+,23+,26+,27+,28+,29+;/m1./s1 |
| InChIKey | RPBJOYICBFNIMN-RDWMNNCQSA-M |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| dexamethasone sodium m-sulfobenzoate (CHEBI:32132) has functional parent dexamethasone (CHEBI:41879) |
| dexamethasone sodium m-sulfobenzoate (CHEBI:32132) is a sulfonatobenzoate (CHEBI:36086) |
| IUPAC Name |
|---|
| sodium 3-[(9-fluoro-11β,17-dihydroxy-16α-methyl-3,20-dioxopregna-1,4-dien-21-yloxy)carbonyl]benzenesulfonate |
| Synonyms | Source |
|---|---|
| Dexamethazone metasulfobenzoate sodium | KEGG DRUG |
| Dexapos | KEGG DRUG |
| Santeson | KEGG DRUG |
| Dexamethasone sodium-m-sulfobenzoate | ChemIDplus |
| Dexamethasone-21-sulphobenzoate sodium | ChemIDplus |
| Dexamethasone metasulfobenzoate sodium | KEGG COMPOUND |