Clindamycin

Synonyms: clindamycin,"Chlolincocin", "Dalacine", "Clindamicina", "Clindamycinum", "Clinimycin", "Dalacin C", "Sobelin", "Clindamycine", "7-Chlorolincomycin", "7-Chloro-7-deoxylincomycin", "Klimicin", "7(S)-Chloro-7-deoxylincomycin", "ClindaDerm", "3U02EL437C", "7-CDL", "U 21251", "Klindan 300", "Antirobe", "7-Deoxy-7(S)-chlorolincomycin", "EINECS 242-209-1", "(2S,4R)-N-((1S,2S)-2-chloro-1-((2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(methylthio)tetrahydro-2H-pyran-2-yl)propyl)-1-methyl-4-propylpyrrolidine-2-carboxamide".

Source: Clindamycin is an antibiotic with good gram-positive and anaerobe coverage which is often used in patients with ?-lactam allergies.

Identifiers:

IUPAC Name: (2S,4R)-N-[(1S,2S)-2-chloro-1-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methylsulfanyloxan-2-yl]propyl]-1-methyl-4-propylpyrrolidine-2-carboxamide
CAS Number: 18323-44-9
PubChem ID: 446598
InChiKey: KDLRVYVGXIQJDK-AWPVFWJPSA-N
Canonical SMILES: CCCC1CC(N(C1)C)C(=O)NC(C2C(C(C(C(O2)SC)O)O)O)C(C)Cl

Structural Properties:

Molecular Formula: C₁₈H₃₃ClN₂O₅S
Molecular Weight: 425

Pharmacophore Features:

Number of bond donors: 4
Number of bond acceptors: 7
Number of atoms different from hydrogen: 27

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Evidence Supporting This Chemical as an Emerging Contaminant

Osorio, V., Schriks, M., Vughs, D., de Voogt, P., Kolkman, A. (2018). A novel sample preparation procedure for effect-directed analysis of micro-contaminants of emerging concern in surface waters. Talanta 186, 527?537.

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2D-structure

3D-structure