daunorubicin

Synonyms: "daunorubicin", "Daunomycin", "Rubidomycin", "Cerubidine", "Daunorubicine", "Acetyladriamycin", "Leukaemomycin C", "Daunorubicinum", "Daunarubicinum", "Daunorrubicina", "Daunamycin", "Cerubidin", "DaunoXome", "Rubomycin C", "(+)-Daunomycin", "Daunoblastin", "Anthracyline", "Rubomycin"

Source: Daunorubicin, also known as daunomycin, is a chemotherapy medication used to treat cancer.

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-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione
CAS Number: 20830-81-3
PubChem ID: 30323
InChiKey: STQGQHZAVUOBTE-VGBVRHCVSA-N
Canonical SMILES: CC1C(C(CC(O1)OC2CC(CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)C)O)N)O

Structural Properties:

Molecular Formula: C₂₇H₂₉NO₁₀
Molecular Weight: 527.5

Pharmacophore Features:

Number of bond donors: 5
Number of bond acceptors: 11
Number of atoms different from hydrogen: 38

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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.

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2D-structure

3D-structure