EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:748929 - amrubicin hydrochloride

Default Structure
ChEBI IDCHEBI:748929
ChEBI Nameamrubicin hydrochloride
Stars
Last Modified29 June 2026
SubmitterChEMBL
DownloadsMolfile
FormulaHCl.C25H25NO9
Net Charge0
Average Mass519.934
Monoisotopic Mass519.12961
SMILESCC(=O)[C@]1(N)Cc2c(O)c3c(c(O)c2[C@@H](O[C@H]2C[C@H](O)[C@H](O)CO2)C1)C(=O)c1ccccc1C3=O.Cl
InChIInChI=1S/C25H25NO9.ClH/c1-10(27)25(26)7-13-18(16(8-25)35-17-6-14(28)15(29)9-34-17)24(33)20-19(23(13)32)21(30)11-4-2-3-5-12(11)22(20)31;/h2-5,14-17,28-29,32-33H,6-9,26H2,1H3;1H/t14-,15+,16-,17-,25-;/m0./s1
InChIKeyBHMLHEQFWVQAJS-IITOGVPQSA-N
Roles Classification
Application:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
amrubicin hydrochloride (CHEBI:748929) has role antineoplastic agent (CHEBI:35610)
amrubicin hydrochloride (CHEBI:748929) is a quinone (CHEBI:36141)
amrubicin hydrochloride (CHEBI:748929) is a tetracenes (CHEBI:51270)
Synonyms  Source
CalsedChEMBL
SM 5887ChEMBL
Citations