cefradine

Synonyms: "cephradine", "Cefradine", "Cephradin", "Sefril", "Anspor", "Velosef", "Cefradina", "Cefradinum", "Eskacef", "Cefradin", "7-(D-2-Amino-2-(1,4-cyclohexadienyl)acetamide)desacetoxycephalosporanicacid", "EINECS 254-137-8", "(6R,7R)-7-((R)-2-Amino-2-(1,4-cyclohexadien-1-yl)acetamido)-3-methyl-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid"

Source: cefradine is an antibiotic.

Identifiers:

IUPAC Name: (6R,7R)-7-[[(2R)-2-amino-2-cyclohexa-1,4-dien-1-ylacetyl]amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
CAS Number: 38821-53-3
PubChem ID: 38103
InChiKey: RDLPVSKMFDYCOR-UEKVPHQBSA-N
Canonical SMILES: CC1=C(N2C(C(C2=O)NC(=O)C(C3=CCC=CC3)N)SC1)C(=O)O

Structural Properties:

Molecular Formula: C₁₆H₁₉N₃O₄S
Molecular Weight: 349.4

Pharmacophore Features:

Number of bond donors: 3
Number of bond acceptors: 6
Number of atoms different from hydrogen: 24

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