Azathioprine

Synonyms: "azathioprine", "Azothioprine", "Imuran", "Azathioprin", "Azatioprin", "Imurel", "Azanin", "Azamun", "Azathiopurine", "Ccucol", "Muran", "Imurek", "Azasan", "6-[(1-methyl-4-nitro-1H-imidazol-5-yl)sulfanyl]-7H-purine", "6-(1-Methyl-p-nitro-5-imidazolyl)-thiopurine", "Methylnitroimidazolylmercaptopurine"

Source: Azathioprine is a prodrug used in the treatment of rheumatoid arthritis and lupus.

Identifiers:

IUPAC Name: 6-(3-methyl-5-nitroimidazol-4-yl)sulfanyl-7H-purine
CAS Number: 446-86-6
PubChem ID: 2265
InChiKey: LMEKQMALGUDUQG-UHFFFAOYSA-N
Canonical SMILES: CN1C=NC(=C1SC2=NC=NC3=C2NC=N3)[N+](=O)[O-]

Structural Properties:

Molecular Formula: C₉H₇N₇O₂S
Molecular Weight: 277.27

Pharmacophore Features:

Number of bond donors: 1
Number of bond acceptors: 7
Number of atoms different from hydrogen: 19

Downloads

2D structure (.sdf)
3D structure (.sdf)
3D structure (.mol2)
3D structure (.pdb)
3D structure (.pdbqt)

Search Similar molecules

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

PubChem

PubMed (general search)

PubMed (search as emerging contaminant)

2D-structure

3D-structure