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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:cefotiam hexetil dihydrochloride
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Accession:CHEBI:31373 term browser browse the term
Definition:The dihydrochloride salt of cefotiam 1-(cyclohexyloxycarbonyloxy)ethyl ester. It is used as a prodrug for cefotiam.
Synonyms:exact_synonym: 1-{[(cyclohexyloxy)carbonyl]oxy}ethyl (6R,7R)-7-{[(2-amino-1,3-thiazol-4-yl)acetyl]amino}-3-[({1-[2-(dimethylamino)ethyl]-1H-tetrazol-5-yl}sulfanyl)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate dihydrochloride;   1-{[(cyclohexyloxy)carbonyl]oxy}ethyl 7beta-(2-amino-1,3-thiazol-4-yl)acetamido-3-[({1-[2-(dimethylamino)ethyl]-1H-tetrazol-5-yl}sulfanyl)methyl]-3,4-didehydrocepham-4-carboxylate dihydrochloride
 related_synonym: Formula=C27H39Cl2N9O7S3;   InChI=1S/C27H37N9O7S3.2ClH/c1-15(42-27(40)43-18-7-5-4-6-8-18)41-24(39)21-16(13-46-26-31-32-33-35(26)10-9-34(2)3)12-44-23-20(22(38)36(21)23)30-19(37)11-17-14-45-25(28)29-17;;/h14-15,18,20,23H,4-13H2,1-3H3,(H2,28,29)(H,30,37);2*1H/t15?,20-,23-;;/m1../s1;   InChIKey=FFSANQNELHESQJ-LWBICVDYSA-N;   SMILES=Cl.Cl.[H][C@@]1(NC(=O)Cc2csc(N)n2)C(=O)N2C(C(=O)OC(C)OC(=O)OC3CCCCC3)=C(CSc3nnnn3CCN(C)C)CS[C@]12[H];   cefotiam 1-(cyclohexyloxycarbonyloxy)ethyl ester dihydrochloride;   cefotiam hexetil HCl;   cefotiam hexetil hydrochloride
 xref: CAS:95789-30-3;   KEGG:D01415



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Path 1
Term Annotations click to browse term
  CHEBI ontology 19863
    role 19835
      application 19677
        pro-agent 11550
          prodrug 11311
            cefotiam hexetil dihydrochloride 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19863
    subatomic particle 19861
      composite particle 19861
        hadron 19861
          baryon 19861
            nucleon 19861
              atomic nucleus 19861
                atom 19861
                  main group element atom 19807
                    p-block element atom 19807
                      carbon group element atom 19748
                        carbon atom 19744
                          organic molecular entity 19744
                            heteroorganic entity 19498
                              organochalcogen compound 19259
                                organooxygen compound 19175
                                  carbon oxoacid 18642
                                    carboxylic acid 18639
                                      carboacyl group 17708
                                        univalent carboacyl group 17708
                                          carbamoyl group 17559
                                            carboxamide 17559
                                              lactam 8393
                                                beta-lactam 831
                                                  beta-lactam antibiotic 816
                                                    cephem 551
                                                      cephalosporin 550
                                                        cefotiam 2
                                                          cefotiam hexetil ester 0
                                                            cefotiam hexetil dihydrochloride 0
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