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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:phenoxymethylpenicillin benzathine
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Accession:CHEBI:31973 term browser browse the term
Definition:A benzathine(2+) salt that has formula C48H56N6O10S2.
Synonyms:exact_synonym: N,N'-dibenzylethane-1,2-diaminium bis{2,2-dimethyl-6beta-(phenoxyacetamido)penam-3alpha-carboxylate}
 related_synonym: DBED-penicillin V;   Formula=(C16H18N2O5S)2.C16H20N2;   Formula=C48H56N6O10S2;   InChI=1S/2C16H18N2O5S.C16H20N2/c2*1-16(2)12(15(21)22)18-13(20)11(14(18)24-16)17-10(19)8-23-9-6-4-3-5-7-9;1-3-7-15(8-4-1)13-17-11-12-18-14-16-9-5-2-6-10-16/h2*3-7,11-12,14H,8H2,1-2H3,(H,17,19)(H,21,22);1-10,17-18H,11-14H2/t2*11-,12+,14-;/m11./s1;   InChIKey=BBTOYUUSUQNIIY-ANPZCEIESA-N;   SMILES=[H][N+]([H])(CC[N+]([H])([H])Cc1ccccc1)Cc1ccccc1.[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)COc1ccccc1)C([O-])=O.[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)COc1ccccc1)C([O-])=O;   benzathine penicillin V;   benzathine-penicillin V (1:2);   dibenzylethylenediamine-penicillin V
 xref: CAS:5928-84-7;   KEGG:D02405;   Patent:US2820789


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Term Annotations click to browse term
  CHEBI ontology 21560
    chemical entity 21558
      molecular entity 21543
        ion 16616
          anion 15503
            salt 15175
              organic salt 2577
                benzathine(2+) salt 0
                  phenoxymethylpenicillin benzathine 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 21560
    subatomic particle 21546
      composite particle 21546
        hadron 21546
          baryon 21546
            nucleon 21546
              atomic nucleus 21546
                atom 21546
                  main group element atom 21449
                    p-block element atom 21449
                      carbon group element atom 21240
                        carbon atom 21135
                          organic molecular entity 21135
                            organic group 19569
                              organic divalent group 19559
                                organodiyl group 19559
                                  carbonyl group 19540
                                    carbonyl compound 19540
                                      carboxylic acid 19125
                                        carboacyl group 17944
                                          univalent carboacyl group 17944
                                            carbamoyl group 17696
                                              carboxamide 17696
                                                lactam 8081
                                                  beta-lactam 773
                                                    beta-lactam antibiotic 761
                                                      penams 265
                                                        penamcarboxylate 0
                                                          penicillinate anion 0
                                                            phenoxymethylpenicillin(1-) 0
                                                              phenoxymethylpenicillin benzathine 0
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