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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:irinotecan hydrochloride (anhydrous)
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Accession:CHEBI:5971 term browser browse the term
Definition:A hydrochloride obtained by combining irinotecan with one molar equivalent of hydrochloric acid. Used (in the form of its trihydrate) in combination with fluorouracil and leucovorin, for the treatment of patients with metastatic adenocarcinoma of the pancreas after disease progression following gemcitabine-based therapy. It is converted via hydrolysis of the carbamate linkage to its active metabolite, SN-38, which is ~1000 times more active.
Synonyms:exact_synonym: (4S)-4,11-diethyl-4-hydroxy-3,14-dioxo-3,4,12,14-tetrahydro-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinolin-9-yl [1,4'-bipiperidine]-1'-carboxylate hydrochloride;   1-[1-({[(4S)-4,11-diethyl-4-hydroxy-3,14-dioxo-3,4,12,14-tetrahydro-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinolin-9-yl]oxy}carbonyl)piperidin-4-yl]piperidin-1-ium chloride
 related_synonym: 7-Ethyl-10-(4-(1-piperidino)-1-piperidino)carbonyloxy camptothecin hydrochloride;   CPT 11;   Camptothecin 11 hydrochloride;   Formula=C33H39ClN4O6;   InChI=1S/C33H38N4O6.ClH/c1-3-22-23-16-21(43-32(40)36-14-10-20(11-15-36)35-12-6-5-7-13-35)8-9-27(23)34-29-24(22)18-37-28(29)17-26-25(30(37)38)19-42-31(39)33(26,41)4-2;/h8-9,16-17,20,41H,3-7,10-15,18-19H2,1-2H3;1H/t33-;/m0./s1;   InChIKey=GURKHSYORGJETM-WAQYZQTGSA-N;   Irinotecan HCl;   Irinotecan hydrochloride;   SMILES=C1(=CC=C2C(=C1)C(=C3C(=N2)C=4N(C3)C(C5=C(C4)[C@](C(OC5)=O)(CC)O)=O)CC)OC(=O)N6CCC(CC6)N7CCCCC7.Cl;   U 101440E;   irinotecan monohydrochloride
 xref: CAS:100286-90-6;   DrugBank:DB00762
 xref_mesh: MESH:C051890
 xref: PMID:24474168;   PMID:25142792;   PMID:25233635;   PMID:25512111;   PMID:25750295;   PMID:26309154;   PMID:26352218;   PMID:26422291;   PMID:26526067;   PMID:26540095;   PMID:26604633;   Reaxys:4837793;   Wikipedia:Irinotecan


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Term Annotations click to browse term
  CHEBI ontology 497
    role 497
      application 457
        pro-agent 17
          prodrug 17
            irinotecan hydrochloride (anhydrous) 0
              irinotecan hydrochloride hydrate 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 497
    subatomic particle 497
      composite particle 497
        hadron 497
          baryon 497
            nucleon 501
              atomic nucleus 501
                atom 497
                  main group element atom 490
                    p-block element atom 490
                      halogen 113
                        chlorine atom 94
                          chlorine molecular entity 92
                            elemental chlorine 13
                              monoatomic chlorine 13
                                chloride 13
                                  chloride salt 13
                                    organic chloride salt 5
                                      hydrochloride 4
                                        irinotecan hydrochloride (anhydrous) 0
                                          irinotecan hydrochloride hydrate 0
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