Chlortetracycline

Synonyms: "chlortetracycline", "7-Chlorotetracycline", "Chlorotetracycline", "Clortetraciclina", "Chlortetracyclinum", "Chrysomykine", "Aureomykoin", "Uromycin", "Flamycin", "Duomycin", "Aureocina", "Acronize", "Biomycin", "Biomitsin", "Biomycin a", "(4S,4aS,5aS,6S,12aS)-7-chloro-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide"

Source: Chlortetracycline is an antibiotic.

Identifiers:

IUPAC Name: (4S,4aS,5aS,6S,12aR)-7-chloro-4-(dimethylamino)-1,6,10,11,12a-pentahydroxy-6-methyl-3,12-dioxo-4,4a,5,5a-tetrahydrotetracene-2-carboxamide
CAS Number: 57-62-5
PubChem ID: 54675777
InChiKey: DHPRQBPJLMKORJ-XRNKAMNCSA-N
Canonical SMILES: CC1(C2CC3C(C(=O)C(=C(C3(C(=O)C2=C(C4=C(C=CC(=C41)Cl)O)O)O)O)C(=O)N)N(C)C)O

Structural Properties:

Molecular Formula: C₂₂H₂₃ClN₂O₈
Molecular Weight: 478.9

Pharmacophore Features:

Number of bond donors: 6
Number of bond acceptors: 9
Number of atoms different from hydrogen: 33

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

Richardson, B. J., Lam, P. K., & Martin, M. (2005). Emerging chemicals of concern: pharmaceuticals and personal care products (PPCPs) in Asia, with particular reference to Southern China. Marine Pollution Bulletin, 50(9), 913-920.

External Links

PubChem

PubMed (general search)

PubMed (search as emerging contaminant)

2D-structure

3D-structure