| CAS ID: | 23214-92-8 |
| Molecular Formula: | C27H29NO11 |
| Molecular Weight: | 543.5 g/mol |
| Monoisotopic Mass: | 543.1741 g/mol |
| Class: | Small Molecule |
| Natural Product: | No |
| Other Names: | Rubex | Doxorubicin Trifluoroacetate | Adriamycin rdf | DOXIL | CAELYX | Hydroxydaunorubicin | Doxil | DOXORUBICIN | Adriamycin | ADRIAMYCIN | DOXIL (LIPOSOMAL) | DOXORUBICIN HYDROCHLORIDE (LIPOSOMAL) | MYOCET | ADRIBLASTINA | ADRIAMYCIN PFS | RUBEX | Doxorubicin Hydrochloride |
| Analysis: | Drug repositioning mechanism analysis |
| 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 | See All |
| InChI Key: | AOJJSUZBOXZQNB-TZSSRYMLSA-N | |
| 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 | See All |
| Molfile: | Download |
Reference Record 1
| PubMed ID | 17239825 | Target ID | |
| Uniprot ID | Name | ||
| Model | vitro,rat | Fibrosis Disease | Liver fibrosis |
| Process I | |||
| Process II | |||
| Process III | |||
| Mechanism | |||
| PubChem: | 31703 |
| ChEMBL: | CHEMBL53463 |