CHEBI:32132 - dexamethasone sodium m-sulfobenzoate

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name dexamethasone sodium m-sulfobenzoate
ChEBI ID CHEBI:32132
ChEBI ASCII Name dexamethasone sodium m-sulfobenzoate
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formulae C29H32FNaO9S
C29H32FO9S.Na
Net Charge 0
Average Mass 598.61315
Monoisotopic Mass 598.16488
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
SMILES [Na+].[H][C@@]12C[C@@H](C)[C@](O)(C(=O)COC(=O)c3cccc(c3)S([O-])(=O)=O)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])CCC2=CC(=O)C=C[C@]12C
ChEBI Ontology
Outgoing 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 Sources
Dexamethasone metasulfobenzoate sodium KEGG COMPOUND
Dexamethasone sodium-m-sulfobenzoate ChemIDplus
Dexamethasone-21-sulphobenzoate sodium ChemIDplus
Dexamethazone metasulfobenzoate sodium KEGG DRUG
Dexapos KEGG DRUG
Santeson KEGG DRUG
Manual Xref Database
D01510 KEGG DRUG
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Registry Numbers Types Sources
3936-02-5 CAS Registry Number ChemIDplus
3936-02-5 CAS Registry Number KEGG DRUG
Last Modified
28 July 2014