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CHEBI ONTOLOGY - ANNOTATIONS

The Chemical Entities of Biological Interest (ChEBI) ontology is downloaded weekly from EMBL-EBI at http://www.ebi.ac.uk/chebi/. The data is made available under the Creative Commons License (CC BY 3.0, http://creativecommons.org/licenses/by/3.0/). For more information see: Degtyarenko et al. (2008) ChEBI: a database and ontology for chemical entities of biological interest. Nucleic Acids Res. 36, D344–D350.

Term:methylprednisolone suleptanate
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Accession:CHEBI:135864 term browser browse the term
Definition:An organic sodium salt that is the monosodium salt of methylprednisolone 21-suleptanic acid ester. It is a prodrug of methylprednisolone developed by Pharmacia Corp for the treatment of asthma.
Synonyms:exact_synonym: sodium 2-[{8-[(11beta,17-dihydroxy-6alpha-methyl-3,20-dioxopregna-1,4-dien-21-yl)oxy]-8-oxooctanoyl}(methyl)amino]ethanesulfonate
 related_synonym: Formula=C33H48NO10S.Na;   InChI=1S/C33H49NO10S.Na/c1-21-17-23-24-12-14-33(40,32(24,3)19-26(36)30(23)31(2)13-11-22(35)18-25(21)31)27(37)20-44-29(39)10-8-6-5-7-9-28(38)34(4)15-16-45(41,42)43;/h11,13,18,21,23-24,26,30,36,40H,5-10,12,14-17,19-20H2,1-4H3,(H,41,42,43);/q;+1/p-1/t21-,23-,24-,26-,30+,31-,32-,33-;/m0./s1;   InChIKey=CDMLLMOLWUKNEK-AOHDELFNSA-M;   Medrosol;   PNU-67590A;   Promedrol;   SMILES=[Na+].[H][C@@]12CC[C@](O)(C(=O)COC(=O)CCCCCCC(=O)N(C)CCS([O-])(=O)=O)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])C[C@H](C)C2=CC(=O)C=C[C@]12C;   U-67,590A;   U-67590A;   methylprednisolone suleptanate sodium;   methylprednisolone suleptanate sodium salt;   methylprednisoloni suleptanas;   sodium 2-[{8-[(11beta,17-dihydroxy-6alpha-methyl-3,20-dioxopregna-1,4-dien-21-yl)oxy]-8-oxooctanoyl}(methyl)amino]ethane-1-sulfonate;   suleptanate de methylprednisolone;   suleptanato de metilprednisolona
 xref: CAS:90350-40-6;   Drug_Central:1772;   KEGG:D05002;   PMID:11249603;   PMID:1509198;   PMID:1665309;   PMID:2681792;   PMID:3107853;   PMID:3571374;   PMID:7505356;   PMID:7682130;   PMID:7876403;   PMID:8028233;   PMID:9039715;   PMID:9327445;   PMID:9452975;   Wikipedia:Methylprednisolone_suleptanate



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  CHEBI ontology 19860
    role 19832
      application 19675
        anti-inflammatory agent 16628
          methylprednisolone suleptanate 0
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  CHEBI ontology 19860
    subatomic particle 19858
      composite particle 19858
        hadron 19858
          baryon 19858
            nucleon 19858
              atomic nucleus 19858
                atom 19858
                  main group element atom 19804
                    p-block element atom 19804
                      chalcogen 19555
                        oxygen atom 19528
                          oxygen molecular entity 19528
                            oxide 12769
                              oxoanion 10310
                                chalcogen oxoanion 658
                                  sulfur oxoanion 656
                                    sulfonate 113
                                      organosulfonate oxoanion 113
                                        methylprednisolone 21-suleptanic acid ester(1-) 0
                                          methylprednisolone suleptanate 0
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