ChemSpider 2D Image | BECONASE | C28H37ClO7

BECONASE

  • Molecular FormulaC28H37ClO7
  • Average mass521.042 Da
  • Monoisotopic mass520.222778 Da
  • ChemSpider ID20396

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(11b,16b)-9-Chloro-11-hydroxy-16-methyl-17,21-bis(1-oxopropoxy)-pregna-1,4-diene-3,20-dione
(11b,16b)-9-chloro-11-hydroxy-16-methyl-3,20-dioxopregna-1,4-diene-17,21-diyl dipropanoate
(11β,16β)-9-Chlor-11-hydroxy-16-methyl-3,20-dioxopregna-1,4-dien-17,21-diyl-dipropanoat [German] [ACD/IUPAC Name]
(11β,16β)-9-Chloro-11-hydroxy-16-methyl-3,20-dioxopregna-1,4-diene-17,21-diyl dipropanoate [ACD/IUPAC Name]
(8S,9R,10S,11S,13S,14S,16S,17R)-9-Chlor-11-hydroxy-10,13,16-trimethyl-3-oxo-17-[(propanoyloxy)acetyl]-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthren-17-ylpropanoat
(8S,9R,10S,11S,13S,14S,16S,17R)-9-chloro-11-hydroxy-10,13,16-trimethyl-3-oxo-17-[(propanoyloxy)acetyl]-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthren-17-yl propanoate
2-[(1R,2S,3aS,3bS,9aS,9bR,10S,11aS)-9b-chloro-10-hydroxy-2,9a,11a-trimethyl-7-oxo-1-(propanoyloxy)-1H,2H,3H,3aH,3bH,4H,5H,7H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl]-2-oxoethyl propanoate
226-886-0 [EINECS]
5534-09-8 [RN]
5B307S63B2
More...

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

DRG 0158 [DBID]
KW 053 [DBID]
C07813 [DBID]
D00689 [DBID]
DRG-0158 [DBID]
KW-053 [DBID]
Prestwick_990 [DBID]
Prestwick0_000855 [DBID]
Prestwick1_000855 [DBID]
SPBio_002790 [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Safety:

      A07EA07 Wikidata Q421475
      D07AC15 Wikidata Q421475
      R01AD01 Wikidata Q421475
      R03BA01 Wikidata Q421475

    • Target Organs:

      Glucocorticoid Receptor agonist TargetMol T1127

    • Chemical Class:

      A steroid ester comprising beclomethasone having propionyl groups at the 17- and 21-positions. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:3002, CHEBI:3002

    • Therapeutical Effect:

      Glucocorticoids Sean Ekins

    • Bio Activity:

      Beclometasone dipropionate is a potent glucocorticoid agonist; it is a prodrug of the free form, beclometasone. MedChem Express http://www.medchemexpress.com/Beclometasone-dipropionate.html, HY-13571A
      Beclometasone dipropionate is a potent glucocorticoid agonist; it is a prodrug of the free form, beclometasone. ;IC50 Value: 0.2 nM (Inhibiting thymidine incorporation) [1];Target: glucocorticoid receptor;In vitro: Cortisol and beclomethasone dipropionate were more potent than salbutamol in inhibiting thymidine incorporation with IC50 values of 5 nM and 0.2 nM respectively. Cortisol 100 nM led to a 16.6 +/- 6.5% reduction and beclomethasone dipropionate 3 nM led to a 17.8 +/- 5.8% reduction in cell number [1]. ;In vivo: Controlled trials involving 497 adults and children demonstrated similar clinical efficacy between nebulized BDP and either nebulized fluticasone propionate or nebulized budesonide. Meta-analyses show that BDP, like other inhaled corticosteroids, has no major influence on patient height, urinary cortisol concentration, or bone metabolism [2]. Beclometasone dipropionate (BDP) 800 microgday(-1) suspension for nebulization and budesonide (BUD) 750 microg day(-1) given MedChem Express HY-13571A
      Endocrinology/ Hormones TargetMol T1127
      Glucocorticoid Receptor MedChem Express HY-13571A
      Glucocorticoid receptor TargetMol T1127
      GPCR/G protein MedChem Express HY-13571A
      GPCR/G protein; MedChem Express HY-13571A

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

Density: 1.3±0.1 g/cm3
Boiling Point: 630.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.2 mmHg at 25°C
Enthalpy of Vaporization: 106.9±6.0 kJ/mol
Flash Point: 335.1±31.5 °C
Index of Refraction: 1.564
Molar Refractivity: 133.4±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 4.59
ACD/LogD (pH 5.5): 4.16
ACD/BCF (pH 5.5): 850.12
ACD/KOC (pH 5.5): 4350.33
ACD/LogD (pH 7.4): 4.16
ACD/BCF (pH 7.4): 850.12
ACD/KOC (pH 7.4): 4350.32
Polar Surface Area: 107 Å2
Polarizability: 52.9±0.5 10-24cm3
Surface Tension: 51.6±5.0 dyne/cm
Molar Volume: 410.3±5.0 cm3

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