≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -20°C Ships Ice chest + Ice pads Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Doxorubicinone is a metabolite of doxorubicin , an antineoplastic antibiotic.
| Pubchem Sid | 504754655 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504754655 |
| Canonical Smiles | COC1=CC=CC2=C1C(=O)C3=C(C4=C(CC(CC4O)(C(=O)CO)O)C(=C3C2=O)O)O |
| IUPAC Name | (7S,9S)-6,7,9,11-tetrahydroxy-9-(2-hydroxyacetyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione |
| InChIKey | IBZGBXXTIGCACK-CWKPULSASA-N |
| INCHI | 1S/C21H18O9/c1-30-11-4-2-3-8-14(11)20(28)16-15(17(8)25)18(26)9-5-21(29,12(24)7-22)6-10(23)13(9)19(16)27/h2-4,10,22-23,26-27,29H,5-7H2,1H3/t10-,21-/m0/s1 |
| Isomeric SMILES | COC1=CC=CC2=C1C(=O)C3=C(C4=C(C[C@](C[C@@H]4O)(C(=O)CO)O)C(=C3C2=O)O)O |
| Molecular Weight | 414.36 |
| Reaxy-Rn | 2342587 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2342587&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | Naphthacenes |
| Subclass | Tetracenequinones |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Tetracenequinones |
| Alternative Parents | Anthraquinones Tetralins Aryl ketones Anisoles Alkyl aryl ethers Vinylogous acids Tertiary alcohols Alpha-hydroxy ketones Secondary alcohols Polyols Primary alcohols Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homopolycyclic compounds |
| Substituents | Tetracenequinone - 9,10-anthraquinone - 1,4-anthraquinone - Anthracene - Tetralin - Aryl ketone - Anisole - Alkyl aryl ether - Vinylogous acid - Alpha-hydroxy ketone - Tertiary alcohol - Secondary alcohol - Ketone - Ether - Polyol - Carbonyl group - Alcohol - Primary alcohol - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aromatic homopolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as tetracenequinones. These are polyaromatic hydrocarbon derivatives containing a tetracyclic cycle made up of four linearly fused benzene rings, one of which bears two ketone groups at position 1 and 4. |
| External Descriptors | Not available |
| Solubility | Soluble in water (partly), DMSO, and methanol. |
|---|---|
| Refractive Index | n20D1.74 (Predicted) |
| Boil Point(°C) | ~726.6° C at 760 mmHg (Predicted) |
| Melt Point(°C) | 223-225° C |
| Molecular Weight | 414.400 g/mol |
| XLogP3 | 1.600 |
| Hydrogen Bond Donor Count | 5 |
| Hydrogen Bond Acceptor Count | 9 |
| Rotatable Bond Count | 3 |
| Exact Mass | 414.095 Da |
| Monoisotopic Mass | 414.095 Da |
| Topological Polar Surface Area | 162.000 Ų |
| Heavy Atom Count | 30 |
| Formal Charge | 0 |
| Complexity | 738.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 2 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
E2626104