Idarubicin

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Systematic / IUPAC Name: (1S,3S)-3-Acetyl-3,5,12-trihydroxy-6,11-dioxo-1,2,3,4,6,11-hexahydro-1-tetracenyl 3-amino-2,3,6-trideoxy-α-L-lyxo-hexopyranoside

ID: Reference5883

Other Names: 4-DMD;
DM5;
DMDR;
Idarubicina;
Idarubicine ; more

Formula: C26H27NO9

Class: Endogenous Metabolites

Spectral Data

Idarubicin 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
No. of Spectral Trees 1
No. of Spectra 119
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 11/2/2016 1:46:30 PM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C26H27NO9/c1-10-21(29)15(27)7-17(35-10)36-16-9-26(34,11(2)28)8-14-18(16)25(33)20-19(24(14)32)22(30)12-5-3-4-6-13(12)23(20)31/h3-6,10,15-17,21,29,32-34H,7-9,27H2,1-2H3/t10-,15-,16-,17-,21+,26-/m0/s1
InChI Key XDXDZDZNSLXDNA-TZNDIEGXSA-N
Canonical SMILES CC1C(C(CC(O1)OC2CC(CC3=C(C4=C(C(=C23)O)C(=O)C5=CC=CC=C5C4=O)O)(C(=O)C)O)N)O
CAS
Splash
Other Names 4-DMD;
DM5;
DMDR;
Idarubicina;
Idarubicine;
Idarubicinum;
NSC 256439 ;
(1S,3S)-3-Acetyl-3,5,12-trihydroxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 3-amino-2,3,6-trideoxy-α-L-lyxo-hexopyranoside;
(7S,9S)-9-Acetyl-7-[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-8,10-dihydro-7H-tetracene-5,12-dione;
(7S,9S)-9-Acetyl-7-[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-6,9,11-trihydroxy-8,10-dihydro-7H-tetracene-5,12-dione;
(7S,9S)-9-Acetyl-7-{[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyl-2-oxanyl]oxy}-6,9,11-trihydroxy-8,10-dihydro-7H-tetracene-5,12-dione ;
(7S,9S)-9-Acetyl-7-{[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy}-6,9,11-trihydroxy-5,7,8,9,10,12-hexahydrotetracene-5,12-dione;
(7S-cis-)-9-Acetyl-7-[(3-amino-2,3,6-trideoxy-α-L-lyxo-hexopyranosyl)oxy]-7,8,9,10-tetrahydro-6,9,11-trihydroxy-5,12-naphthacenedione;
4-Demethoxydaunomycin;
4-Demethoxydaunorubicin;
Daunomycin, 4-demethoxy-;
5,12-Naphthacenedione, 7,8,9,10-tetrahydro-9-acetyl-7-[(3-amino-2,3,6-trideoxy-α-L-lyxo-hexopyranosyl)oxy]-6,9,11-trihydroxy-, (7S-cis-)- ;
5,12-Naphthacenedione, 9-acetyl-7-[(3-amino-2,3,6-trideoxy-α-L-lyxo-hexopyranosyl)oxy]-7,8,9,10-tetrahydro-6,9,11-trihydroxy-, (7S-cis-)-

In Other Databases

ChemSpider 39117
ChEMBL CHEMBL1117
PubChem 42890
DrugBank DB01177
ChemIDPlus 058957929
HMDb HMDB15308
Wikipedia Idarubicin
ChEBI CHEBI:42068
KEGG D08062