D7Dsy2P2HX

Base Information

• Chemical Name: D7Dsy2P2HX
• CAS No.: 313474-59-8
• Molecular Weight: 509.43
• UNII: D7DSY2P2HX
• Mol file: 313474-59-8.mol

Synonyms:313474-59-8;D7DSY2P2HX;9alpha-Bromobudesonide;UNII-D7DSY2P2HX;Budesonide impurity J [EP];(1S,2S,4R,8S,9S,11S,12R,13S)-12-Bromo-11-hydroxy-8-(2-hydroxyacetyl)-9,13-dimethyl-6-propyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-16-one;16alpha,17-((1RS)-Butylidenebis(oxy))-9alpha-bromo-11beta,21-dihydroxypregna-1,4-diene-3,20-dione;16alpha,17-[(1RS)-Butylidenebis(oxy)]-9alpha-bromo-11beta,21-dihydroxypregna-1,4-diene-3,20-dione;Pregna-1,4-diene-3,20-dione, 9-bromo-16,17-(butylidenebis(oxy))-11,21-dihydroxy-, (11beta,16alpha)-;9.ALPHA.-BROMOBUDESONIDE;BUDESONIDE IMPURITY J [EP IMPURITY];CS-0166435;(6aS,6bR,7S,8aS,8bS,11aR,12aS,12bS)-6b-bromo-7-hydroxy-8b-(2-hydroxyacetyl)-6a,8a-dimethyl-10-propyl-6a,6b,7,8,8a,8b,11a,12,12a,12b-decahydro-1H-naphtho[2',1':4,5]indeno[1,2-d][1,3]dioxol-4(2H)-one (Budesonide Impurity;16.ALPHA.,17-((1RS)-BUTYLIDENEBIS(OXY))-9.ALPHA.-BROMO-11.BETA.,21-DIHYDROXYPREGNA-1,4-DIENE-3,20-DIONE;Budesonide Imp. J (EP);16alpha,17-[(1RS)-Butylidene-bis(oxy)]-9alpha-bromo-11beta,21-dihydroxypregna-1,4-diene-3,20-dione;(11beta,16alpha)-9-bromo-16,17-[butylidenebis(oxy)]-11,21-dihydroxypregna-1,4-diene-3,20-dione;Budesonide Impurity J;PREGNA-1,4-DIENE-3,20-DIONE, 9-BROMO-16,17-(BUTYLIDENEBIS(OXY))-11,21-DIHYDROXY-, (11.BETA.,16.ALPHA.)-

Chemical Property of D7Dsy2P2HX

Chemical Property:

• Boiling Point: 635.8±55.0 °C(Predicted)
• PKA: 12.87±0.10(Predicted)
• Density: 1.45±0.1 g/cm3(Predicted)
• Storage Temp.: Refrigerator, under inert atmosphere
• Solubility.: Chloroform (Slightly)
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 508.14605
• Heavy Atom Count: 32
• Complexity: 914

Purity/Quality:

99%, ^*data from raw suppliers

9α-Bromobudesonide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCCC1OC2CC3C4CCC5=CC(=O)C=CC5(C4(C(CC3(C2(O1)C(=O)CO)C)O)Br)C
• Isomeric SMILES: CCCC1O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@@]5([C@]4([C@H](C[C@@]3([C@@]2(O1)C(=O)CO)C)O)Br)C
• Uses: 9α-Bromobudesonide (Budesonide EP Impurity J) is an impurity of Budesonide (B689460), a non-halogenated glucocorticoid intended for the local treatment of lung disease.