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4'-epidoxorubicinium

CHEBI:CHEBI_41983

Definition

An anthracycline cation resulting from the protonation of the amino group of 4'-epidoxorubicin.

Chemical Information

Molecular Formula
C27H30NO11
Molecular Mass
544.52720
Charge
+1
SMILES
COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](O[C@H]5C[C@H]([NH3+])[C@@H](O)[C@H](C)O5)c4c(O)c3C(=O)c12)C(=O)CO
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/p+1/t10-,13-,15-,17-,22-,27-/m0/s1
InChIKey
AOJJSUZBOXZQNB-VTZDEGQISA-O

Alternative Names

  • (1S,3S)-3,5,12-trihydroxy-3-(hydroxyacetyl)-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 3-azaniumyl-2,3,6-trideoxy-alpha-L-arabino-hexopyranoside
  • 4'-EPIDOXORUBICIN

Drug Classification

Important Medical Information

⚕️ This information is sourced from ChEBI (Chemical Entities of Biological Interest) database and is intended for educational purposes only.

  • Always consult with a healthcare professional before starting, stopping, or modifying any medication.
  • Side effects may vary and this list may not be comprehensive.
  • Drug interactions may occur with other medications.

Additional Identifiers

core#notation
CHEBI:41983
oboInOwl#hasDbXref
PDBeChem:DM6

Additional References

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Additional Attributes

oboInOwl#hasOBONamespace
chebi_ontology
oboInOwl#id
CHEBI:41983
core#notation
CHEBI:41983
oboInOwl#hasDbXref
PDBeChem:DM6
oboInOwl#inSubset
http://purl.obolibrary.org/obo/chebi#3_STAR
chebi#has_functional_parent
http://purl.obolibrary.org/obo/CHEBI_28748
chebi#is_conjugate_base_of
http://purl.obolibrary.org/obo/CHEBI_47898
22-rdf-syntax-ns#type
http://www.w3.org/2002/07/owl#Class
chebi#is_conjugate_acid_of
http://purl.obolibrary.org/obo/CHEBI_47898
owl#annotatedSource
t217356
owl#someValuesFrom
t228287