Doxorubicin

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Systematic / IUPAC Name: 7-(4-Amino-5-hydroxy-6-methyloxan-2-yl)oxy-6,9,
11-trihydroxy-9-(2-hydroxyacetyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,
12-dione

ID: Reference708

Other Names: 14-Hydroxydaunorubicine;
5,12-Naphthacenedione, 10-((3-amino-2,3,6-trideoxy-α-L-lyxo-hexopyranosyl)oxy)-7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(hydroxyacetyl)-1-methoxy-, (8S-cis-)-;
(1S,3S)-3-Glycoloyl-1,2,3,4,6,11-hexahydro-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1-naphthacenyl-(3-amino-2,3,6-tridesoxy-α-L-lyxo-hexopyranosid);
Adriamycin;
Doxil ; more

Formula: C27H29NO11

Class: Therapeutics/Prescription Drugs

Spectral Data

Doxorubicin mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

View Mass Spectra

Available MS Data

Used Instruments Q Exactive Orbitrap; Q Exactive Plus Orbitrap
No. of Spectral Trees 2
No. of Spectra 132
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 2/25/2015 1:35:38 PM
View Mass Spec Data > >

Identificators

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
InChI Key AOJJSUZBOXZQNB-TZSSRYMLSA-N
Canonical SMILES
CAS 25316409
Splash
Other Names 14-Hydroxydaunorubicine;
5,12-Naphthacenedione, 10-((3-amino-2,3,6-trideoxy-α-L-lyxo-hexopyranosyl)oxy)-7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(hydroxyacetyl)-1-methoxy-, (8S-cis-)-;
(1S,3S)-3-Glycoloyl-1,2,3,4,6,11-hexahydro-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1-naphthacenyl-(3-amino-2,3,6-tridesoxy-α-L-lyxo-hexopyranosid);
Adriamycin;
Doxil;
Adriablastin;
Adriblastina;
Adriamycin semiquinone;
Caelyx

In Other Databases

HMDb HMDB15132
ChEMBL CHEMBL53463
KEGG C01661; D03899
ChEBI CHEBI:28748
DrugBank APRD00185
Wikipedia Doxorubicin
PubChem 31703
ChemSpider 1628; 21117699; 21234507; 21235215; 21240705; 21258766
ChemIDPlus 023214928