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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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Path 1
Term Annotations click to browse term
  CHEBI ontology 19838
    role 19810
      application 19679
        pro-agent 11524
          prodrug 11285
            irinotecan hydrochloride (anhydrous) 0
              irinotecan hydrochloride hydrate 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19838
    subatomic particle 19836
      composite particle 19836
        hadron 19836
          baryon 19836
            nucleon 19836
              atomic nucleus 19836
                atom 19836
                  main group element atom 19782
                    p-block element atom 19782
                      halogen 18661
                        chlorine atom 18448
                          chlorine molecular entity 18473
                            elemental chlorine 8776
                              monoatomic chlorine 8761
                                chloride 8761
                                  chloride salt 8761
                                    organic chloride salt 1101
                                      hydrochloride 730
                                        irinotecan hydrochloride (anhydrous) 0
                                          irinotecan hydrochloride hydrate 0
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