ChemSpider 2D Image | Clomocycline | C23H25ClN2O9

Clomocycline

  • Molecular FormulaC23H25ClN2O9
  • Average mass508.906 Da
  • Monoisotopic mass508.124847 Da
  • ChemSpider ID21251443
  • defined stereocentres - 5 of 5 defined stereocentres


More details:






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

(4S,4aS,5aS,6S,12aS)-7-Chlor-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-N-(hydroxymethyl)-6-methyl-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydro-2-tetracencarboxamid [German] [ACD/IUPAC Name]
(4S,4aS,5aS,6S,12aS)-7-Chlor-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-N-(hydroxymethyl)-6-methyl-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydro-2-tetracencarboximidsäure [German] [ACD/IUPAC Name]
(4S,4aS,5aS,6S,12aS)-7-Chloro-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-N-(hydroxymethyl)-6-methyl-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydro-2-tetracenecarboxamide [ACD/IUPAC Name]
(4S,4aS,5aS,6S,12aS)-7-Chloro-4-(diméthylamino)-3,6,10,12,12a-pentahydroxy-N-(hydroxyméthyl)-6-méthyl-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydro-2-tétracènecarboxamide [French] [ACD/IUPAC Name]
(4S,4aS,5aS,6S,12aS)-7-Chloro-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-N-(hydroxymethyl)-6-methyl-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydro-2-tetracenecarboximidic acid [ACD/IUPAC Name]
2151
2-Naphthacenecarboxamide, 7-chloro-4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,6,10,12,12a-pentahydroxy-N-(hydroxymethyl)-6-methyl-1,11-dioxo-, (4S,4aS,5aS,6S,12aS)- [ACD/Index Name]
2-Naphthacenecarboximidic acid, 7-chloro-4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,6,10,12,12a-pentahydroxy-N-(hydroxymethyl)-6-methyl-1,11-dioxo-, (4S,4aS,5aS,6S,12aS)- [ACD/Index Name]
Acide (4S,4aS,5aS,6S,12aS)-7-chloro-4-(diméthylamino)-3,6,10,12,12a-pentahydroxy-N-(hydroxyméthyl)-6-méthyl-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydro-2-tétracènecarboximidique [French] [ACD/IUPAC Name]
clomocyclina [Spanish] [INN]
More...
  • Miscellaneous
    • Safety:

      J01AA11 Wikidata Q4925524
    • Chemical Class:

      Tetracycline in which the hydrogen at position 7 is substituted by chlorine and a hydrogen attached to the amide nitrogen is substituted by a hydroxymethyl group. A tetracyline antibiotic, it is used to treat acne, urinary tract infections, gum disease, and other bacterial infections such as gonorrhoea and chlamydia. ChEBI CHEBI:59589

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

Density: 1.7±0.1 g/cm3
Boiling Point: 809.1±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 123.3±3.0 kJ/mol
Flash Point: 443.1±37.1 °C
Index of Refraction: 1.727
Molar Refractivity: 118.1±0.5 cm3
#H bond acceptors: 11
#H bond donors: 7
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 3
ACD/LogP: 0.52
ACD/LogD (pH 5.5): -2.07
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.62
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 191 Å2
Polarizability: 46.8±0.5 10-24cm3
Surface Tension: 71.9±7.0 dyne/cm
Molar Volume: 296.8±7.0 cm3

Click to predict properties on the Chemicalize site






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