idarubicin

Synonyms: "4-Demethoxydaunorubicin", "Idarubicina", "4-Demethoxydaunomycin", "Idarubicin Hcl", "Idarubicinum", "Idarubicine", "Idamycin", "idarubicin hydrochloride"

Source: Idarubicin is used to treat a certain type of cancer (leukemia).

Identifiers:

IUPAC Name: (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
CAS Number: 58957-92-9
PubChem ID: 42890
InChiKey: XDXDZDZNSLXDNA-TZNDIEGXSA-N
Canonical SMILES: CC1C(C(CC(O1)OC2CC(CC3=C2C(=C4C(=C3O)C(=O)C5=CC=CC=C5C4=O)O)(C(=O)C)O)N)O

Structural Properties:

Molecular Formula: C₂₆H₂₇NO₉
Molecular Weight: 497.5

Pharmacophore Features:

Number of bond donors: 5
Number of bond acceptors: 10
Number of atoms different from hydrogen: 36

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Evidence Supporting This Chemical as an Emerging Contaminant

Ikehata, K., Gamal El-Din, M., & Snyder, S. A. (2008). Ozonation and advanced oxidation treatment of emerging organic pollutants in water and wastewater. Ozone: Science and Engineering, 30(1), 21-26.

External Links

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2D-structure

3D-structure