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CHEBI:752883 - aldoxorubicin hydrochloride

Default Structure
ChEBI IDCHEBI:752883
ChEBI Namealdoxorubicin hydrochloride
Stars
Last Modified29 June 2026
SubmitterChEMBL
DownloadsMolfile
FormulaHCl.C37H42N4O13
Net Charge0
Average Mass787.219
Monoisotopic Mass786.25152
SMILESCl.[H][C@]1(O[C@H]2C[C@H](N)[C@H](O)[C@H](C)O2)C[C@](O)(/C(CO)=N/NC(=O)CCCCCN2C(=O)C=CC2=O)Cc2c(O)c3c(c(O)c21)C(=O)c1c(OC)cccc1C3=O
InChIInChI=1S/C37H42N4O13.ClH/c1-17-32(46)20(38)13-27(53-17)54-22-15-37(51,23(16-42)39-40-24(43)9-4-3-5-12-41-25(44)10-11-26(41)45)14-19-29(22)36(50)31-30(34(19)48)33(47)18-7-6-8-21(52-2)28(18)35(31)49;/h6-8,10-11,17,20,22,27,32,42,46,48,50-51H,3-5,9,12-16,38H2,1-2H3,(H,40,43);1H/b39-23+;/t17-,20-,22-,27-,32+,37-;/m0./s1
InChIKeyNGKHWQPYPXRQTM-UKFSEGPMSA-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.
Application:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
aldoxorubicin hydrochloride (CHEBI:752883) has role antineoplastic agent (CHEBI:35610)
aldoxorubicin hydrochloride (CHEBI:752883) is a anthracycline (CHEBI:48120)
Synonyms  Source
Aldoxorubicin hydrochlorideChEMBL
INNO-206 HYDROCHLORIDEChEMBL
Brand Name  Source
Inno-206ChEMBL