ceftriaxone

Synonyms: "ceftriaxone", "Biotrakson", "Rocephin", "Ceftriaxonum", "Ceftriaxona", "Rocefin", "Ceftriazone", "Rocephine", "Cefatriaxone", "Longacef", "Ceftriaxon"

Source: cefradine is an antibiotic.

Identifiers:

IUPAC Name: (6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-[(2-methyl-5,6-dioxo-1H-1,2,4-triazin-3-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
CAS Number: 73384-59-5
PubChem ID: 5479530
InChiKey: VAAUVRVFOQPIGI-SPQHTLEESA-N
Canonical SMILES: CN1C(=NC(=O)C(=O)N1)SCC2=C(N3C(C(C3=O)NC(=O)C(=NOC)C4=CSC(=N4)N)SC2)C(=O)O

Structural Properties:

Molecular Formula: C₁₈H₁₈N₈O₇S₃
Molecular Weight: 554.6

Pharmacophore Features:

Number of bond donors: 4
Number of bond acceptors: 13
Number of atoms different from hydrogen: 36

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3D structure (.sdf)
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3D structure (.pdbqt)

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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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3D-structure