epirubicin

Synonyms: "Epirubicin", "Epidoxorubicin", "Epiadriamycin", "4'-Epiadriamycin", "Ellence", "4'-epidoxorubicin", "Pidorubicine", "Epirubicinum", "Epirubicina", "Ridorubicin", "Pidorubicinum", "Pidorubicina", "Epirubicine", "Epi-DX", "4-Epidoxorubicin", "Farmorubicin", "4'-epi-Doxorubicin"

Source: Epirubicin is an anthracycline drug used for chemotherapy.

Identifiers:

IUPAC Name: (7S,9S)-7-[(2R,4S,5R,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione
CAS Number: 56420-45-2
PubChem ID: 41867
InChiKey: AOJJSUZBOXZQNB-VTZDEGQISA-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)CO)O)N)O

Structural Properties:

Molecular Formula: C₂₇H₂₉NO₁₁
Molecular Weight: 543.5

Pharmacophore Features:

Number of bond donors: 6
Number of bond acceptors: 12
Number of atoms different from hydrogen: 39

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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