Exact Synonyms
(1S,3S)-3,5,12-trihydroxy-3-(hydroxyacetyl)-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 3-amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranoside
DOXORUBICIN
Doxorubicin
Related Synonyms
(1S,3S)-3-glycoloyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 3-amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranoside
(8S-cis)-10-((3-amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl)oxy)-7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(hydroxyacetyl)-1-methoxy-5,12-naphthacenedione
14-hydroxydaunomycin
14-hydroxydaunorubicine
Adriamycin
doxorubicin
doxorubicine
doxorubicinum
class Information
charge
0
formula
C27H29NO11
has_alternative_id
has_dbxref
- CAS:23214-92-8
- DrugBank:DB00997
- Drug_Central:960
- KEGG:C01661
- KEGG:D03899
- LINCS:LSM-4062
- LIPID_MAPS_instance:LMPK13050001
- PDBeChem:DM2
has_obo_namespace
chebi_ontology
inchi
InChI=1S/C27H29NO11/c1-10-22(31)13(28)6-17(38-10)39-15-8-27(36,16(30)9-29)7-12-19(15)26(35)21-20(24(12)33)23(32)11-4-3-5-14(37-2)18(11)25(21)34/h3-5,10,13,15,17,22,29,31,33,35-36H,6-9,28H2,1-2H3/t10-,13-,15-,17-,22+,27-/m0/s1
inchikey
AOJJSUZBOXZQNB-TZSSRYMLSA-N
in_subset
mass
543.51930
monoisotopicmass
543.17406
smiles
COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](O[C@H]5C[C@H](N)[C@H](O)[C@H](C)O5)c4c(O)c3C(=O)c12)C(=O)CO
class Relations
Subclass of
Related from
has functional parent
is conjugate acid of