ChemSpider 2D Image | Adapalene | C28H28O3

Adapalene

  • Molecular FormulaC28H28O3
  • Average mass412.520 Da
  • Monoisotopic mass412.203857 Da
  • ChemSpider ID23164960

  • defined stereocentres - 3 of 4 defined stereocentres

More details:

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

106685-40-9 [RN]
2-Naphthalenecarboxylic acid, 6-(4-methoxy-3-tricyclo[3.3.1.13,7]dec-1-ylphenyl)- [ACD/Index Name]
6-(3-Adamantan-1-yl-4-methoxyphenyl)naphthalene-2-carboxylic acid
6-[3-(1-Adamantanyl)-4-methoxyphenyl]-2-naphthoic acid
6-[3-(1-Adamantanyl)-4-methoxyphenyl]naphthalene-2-carboxylic acid
6-{3-[(3s,5s,7s)-Adamantan-1-yl]-4-methoxyphenyl}-2-naphthoesäure [German] [ACD/IUPAC Name]
6-{3-[(3s,5s,7s)-Adamantan-1-yl]-4-methoxyphenyl}-2-naphthoic acid [ACD/IUPAC Name]
6-{4-Methoxy-3-[(3s,5s,7s)-tricyclo[3.3.1.13,7]dec-1-yl]phenyl}naphthalene-2-carboxylic acid
Acide 6-{3-[(3s,5s,7s)-adamantan-1-yl]-4-méthoxyphényl}-2-naphtoïque [French] [ACD/IUPAC Name]
Adapalene [BAN] [INN] [JAN] [USAN] [Wiki]
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

CD 271 [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Bio Activity:

      Adapalene(CD-271; Differin), a synthetic retinoid, is a retinoic acid receptor agonist (RAR). MedChem Express
      Adapalene(CD-271; Differin), a synthetic retinoid, is a retinoic acid receptor agonist (RAR).; Target: Retinoic acid receptor agonist (RAR); Adapalene is a third-generation topical retinoid primarily used in the treatment of mild-moderate acne and is also used (off-label) to treat keratosis pilaris as well as other skin conditions. MedChem Express HY-B0091
      Adapalene(CD-271; Differin), a synthetic retinoid, is a retinoic acid receptor agonist (RAR).;Target: Retinoic acid receptor agonist (RAR)Adapalene is a third-generation topical retinoid primarily used in the treatment of mild-moderate acne and is also used (off-label) to treat keratosis pilaris as well as other skin conditions. Adapalene is possibly more effective than tretinoin 0.025% gel in the treatment of acne vulgaris [1].;Thirty-six rats of either sex were divided into six groups (two control groups, and an etodolac, indomethacin, tretinoin and adapalene group) of six animals each. Each group was given different drugs or chemicals. The inhibitory activities of the drugs were determined on carrageenan-induced rat-paw oedema. The inhibition rate (53.48%) in the tretinoin group was found to be higher thanadapalene and controls (P < 0.05). Adapalene was found to have an inhibition rate of 10.28%, and when compared with the other groups, was found to have no statistically signif MedChem Express HY-B0091
      Others MedChem Express HY-B0091
      RAR/RXR MedChem Express HY-B0091

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 606.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 94.8±3.0 kJ/mol
Flash Point: 205.9±25.0 °C
Index of Refraction: 1.655
Molar Refractivity: 122.6±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 8.04
ACD/LogD (pH 5.5): 5.93
ACD/BCF (pH 5.5): 9348.75
ACD/KOC (pH 5.5): 10406.30
ACD/LogD (pH 7.4): 4.36
ACD/BCF (pH 7.4): 251.15
ACD/KOC (pH 7.4): 279.56
Polar Surface Area: 47 Å2
Polarizability: 48.6±0.5 10-24cm3
Surface Tension: 55.0±3.0 dyne/cm
Molar Volume: 334.3±3.0 cm3

Click to predict properties on the Chemicalize site


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