ChemSpider 2D Image | Clarithromycin | C38H69NO13

Clarithromycin

  • Molecular FormulaC38H69NO13
  • Average mass747.953 Da
  • Monoisotopic mass747.476868 Da
  • ChemSpider ID10342604
  • defined stereocentres - 18 of 18 defined stereocentres


More details:






Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(3R,4S,5S,6R,7R,9R,11R,12R,13S,14R)-6-{[(2S,3R,4S,6R)-4-(Dimethylamino)-3-hydroxy-6-methyltetrahydro-2H-pyran-2-yl]oxy}-14-ethyl-12,13-dihydroxy-4-{[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyltetra hydro-2H-pyran-2-yl]oxy}-7-methoxy-3,5,7,9,11,13-hexamethyloxacyclotetradecan-2,10-dion [German] [ACD/IUPAC Name]
(3R,4S,5S,6R,7R,9R,11R,12R,13S,14R)-6-{[(2S,3R,4S,6R)-4-(Dimethylamino)-3-hydroxy-6-methyltetrahydro-2H-pyran-2-yl]oxy}-14-ethyl-12,13-dihydroxy-4-{[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyltetra hydro-2H-pyran-2-yl]oxy}-7-methoxy-3,5,7,9,11,13-hexamethyloxacyclotetradecane-2,10-dione [ACD/IUPAC Name]
(3R,4S,5S,6R,7R,9R,11R,12R,13S,14R)-6-{[(2S,3R,4S,6R)-4-(Diméthylamino)-3-hydroxy-6-méthyltétrahydro-2H-pyran-2-yl]oxy}-14-éthyl-12,13-dihydroxy-4-{[(2R,4R,5S,6S)-5-hydroxy-4-méthoxy-4,6-diméthyltétra hydro-2H-pyran-2-yl]oxy}-7-méthoxy-3,5,7,9,11,13-hexaméthyloxacyclotétradécane-2,10-dione [French] [ACD/IUPAC Name]
(3R,4S,5S,6R,7R,9R,11R,12R,13S,14R)-6-{[(2S,3R,4S,6R)-4-(Dimethylamino)-3-hydroxy-6-methyltetrahydro-2H-pyran-2-yl]oxy}-14-ethyl-12,13-dihydroxy-4-{[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyltetrahydro-2H-pyran-2-yl]oxy}-7-methoxy-3,5,7,9,11,13-hexamethyloxacyclotetradecane-2,10-dione (non-preferred name)
6252
6-O-Methylerythromycin
81103-11-9 [RN]
BIAXIN [Trade name]
Clacee
Clacid
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

A-56268 [DBID]
AIDS007673 [DBID]
AIDS-007673 [DBID]
AIDS007767 [DBID]
AIDS-007767 [DBID]
AIDS094230 [DBID]
AIDS-094230 [DBID]
AIDS097729 [DBID]
AIDS-097729 [DBID]
AIDS097732 [DBID]
More...
  • Experimental Physico-chemical Properties
  • Miscellaneous
    • Safety:

      GHS07 Biosynth Q-200871
      H302 Biosynth Q-200871
      J01FA09 Wikidata Q118551
      P301+P312; P330 Biosynth Q-200871
      Warning Biosynth Q-200871
    • Target Organs:

      Antibacterial TargetMol T1434
    • Chemical Class:

      The 6-<element>O</element>-methyl ether of erythromycin A, clarithromycin is a macrolide antibiotic used in the treatment of respiratory-tract, skin and soft-tissue infections. It is also used to erad icate <ital>Helicobacter pylori</ital> in the treatment of peptic ulcer disease. It prevents bacteria from growing by interfering with their protein synthesis. ChEBI CHEBI:3732
    • Compound Source:

      Streptomyces erythreus Microsource [01504231]
    • Bio Activity:

      50S ribosomal protein;MRP1 TargetMol T1434
      Antibacterial MedChem Express HY-17508
      Antibacterial Cytochrome P450 MedChem Express HY-17508
      Anti-infection MedChem Express HY-17508
      Anti-infection; Metabolism/Protease; MedChem Express HY-17508
      Clarithromycin is a macrolide antibiotic and a CYP3A4 inhibitor. MedChem Express
      Clarithromycin is a macrolide antibiotic and a CYP3A4 inhibitor.; Target: Antibacterial; CYP3A4; Clarithromycin is a macrolide antibiotic used to treat pharyngitis, tonsillitis, acute maxillary sinusitis, acute bacterial exacerbation of chronic bronchitis, pneumonia (especially atypical pneumonias associated with Chlamydophila pneumoniae), skin and skin structure infections. MedChem Express HY-17508
      Clarithromycin is a macrolide antibiotic and a CYP3A4 inhibitor.;Target: Antibacterial; CYP3A4Clarithromycin is a macrolide antibiotic used to treat pharyngitis, tonsillitis, acute maxillary sinusitis, acute bacterial exacerbation of chronic bronchitis, pneumonia (especially atypical pneumonias associated with Chlamydophila pneumoniae), skin and skin structure infections. Clarithromycin prevents bacteria from growing by interfering with their protein synthesis. It binds to the subunit 50S of the bacterial ribosome and thus inhibits the translation of peptides. Clarithromycin has similar antimicrobial spectrum as erythromycin, but is more effective against certain Gram-negative bacteria, particularly Legionella pneumophila. Besides this bacteriostatic effect, clarithromycin also has bactericidal effect on certain strains, such as Haemophilus influenzae, Streptococcus pneumoniae and Neisseria gonorrhoeae. Clarithromycin is a CYP3A4 inhibitor. Even low doses of the cytochrome P4503A4 MedChem Express HY-17508
      Microbiology & Virology TargetMol T1434

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 805.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.5 mmHg at 25°C
Enthalpy of Vaporization: 133.4±6.0 kJ/mol
Flash Point: 440.9±34.3 °C
Index of Refraction: 1.526
Molar Refractivity: 194.0±0.4 cm3
#H bond acceptors: 14
#H bond donors: 4
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 3.16
ACD/LogD (pH 5.5): 0.67
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.20
ACD/LogD (pH 7.4): 2.38
ACD/BCF (pH 7.4): 24.95
ACD/KOC (pH 7.4): 213.55
Polar Surface Area: 183 Å2
Polarizability: 76.9±0.5 10-24cm3
Surface Tension: 48.7±5.0 dyne/cm
Molar Volume: 631.9±5.0 cm3

Click to predict properties on the Chemicalize site





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