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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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  CHEBI ontology 0
    chemical entity 0
      molecular entity 0
        ion 0
          anion 0
            salt 0
              organic salt 0
                benzathine(2+) salt 0
                  phenoxymethylpenicillin benzathine 0
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  CHEBI ontology 0
    subatomic particle 0
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            nucleon 0
              atomic nucleus 0
                atom 0
                  main group element atom 0
                    p-block element atom 0
                      carbon group element atom 0
                        carbon atom 0
                          organic molecular entity 0
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                              organic divalent group 0
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                                      carboxylic acid 0
                                        carboacyl group 0
                                          univalent carboacyl group 0
                                            carbamoyl group 0
                                              carboxamide 0
                                                lactam 0
                                                  beta-lactam 0
                                                    beta-lactam antibiotic 0
                                                      penams 0
                                                        penamcarboxylate 0
                                                          penicillinate anion 0
                                                            phenoxymethylpenicillin(1-) 0
                                                              phenoxymethylpenicillin benzathine 0
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