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CHEBI:31456 - Daunorubicin hydrochloride

Default Structure
ChEBI IDCHEBI:31456
ChEBI NameDaunorubicin hydrochloride
Stars
Last Modified6 March 2017
DownloadsMolfile
FormulaC27H29NO10.HCl
Net Charge0
Average Mass563.987
Monoisotopic Mass563.15582
SMILESCOc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(C)=O)C[C@@H]3O[C@H]1C[C@H](N)[C@H](O)[C@H](C)O1.Cl
InChIInChI=1S/C27H29NO10.ClH/c1-10-22(30)14(28)7-17(37-10)38-16-9-27(35,11(2)29)8-13-19(16)26(34)21-20(24(13)32)23(31)12-5-4-6-15(36-3)18(12)25(21)33;/h4-6,10,14,16-17,22,30,32,34-35H,7-9,28H2,1-3H3;1H/t10-,14-,16-,17-,22+,27-;/m0./s1
InChIKeyGUGHGUXZJWAIAS-QQYBVWGSSA-N
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
Applications:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
anti-anaemic agent  A compound which increases either the number of red cells or the amount of haemoglobin in the blood.
ChEBI Ontology
Outgoing Relation(s)
Daunorubicin hydrochloride (CHEBI:31456) has role anti-anaemic agent (CHEBI:75835)
Daunorubicin hydrochloride (CHEBI:31456) has role antineoplastic agent (CHEBI:35610)
Daunorubicin hydrochloride (CHEBI:31456) is a anthracycline (CHEBI:48120)
Synonyms  Source
Daunorubicin (as hydrochloride)ChEMBL
Daunorubicin hydrochlorideKEGG COMPOUND
FI 6339 [AS THE BASE]ChEMBL
FI 6339 HYDROCHLORIDEChEMBL
FI-6339 HYDROCHLORIDEChEMBL
NDC 0082-4155ChEMBL
Brand Name  Source
CerubidineChEMBL
Manual XrefsDatabases
D01264KEGG DRUG
Registry NumbersSources
CAS:23541-50-6KEGG COMPOUND
Citations