NI0Agy81EG

Base Information

• Chemical Name: NI0Agy81EG
• CAS No.: 1040085-98-0
• Molecular Weight: 402.48
• European Community (EC) Number: 935-305-6
• UNII: NI0AGY81EG
• Mol file: 1040085-98-0.mol

Synonyms:1040085-98-0;NI0AGY81EG;UNII-NI0AGY81EG;Budesonide acetaldehyde acetal (epimers) [USP];(1S,2S,4R,8S,9S,11S,12S,13R)-11-Hydroxy-8-(2-hydroxyacetyl)-6,9,13-trimethyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-16-one;16alpha,17-(Ethylidenebis(oxy))-11beta,21-dihydroxypregna-1,4-diene-3,20-dione;Pregna-1,4-diene-3,20-dione, 16,17-(ethylidenebis(oxy))-11,21-dihydroxy-, (11beta,16alpha)-;SCHEMBL13524231;16alpha,17-[(1RS)-Ethylidenebis(oxy)]-11beta,21-dihydroxypregna-1,4-diene-3,20-dione;Di-Norbudesonide(Mixture of Diastereomers);BUDESONIDE IMPURITY B [EP IMPURITY];CS-0166430;BUDESONIDE ACETALDEHYDE ACETAL (EPIMERS);(6aR,6bS,7S,8aS,8bS,11aR,12aS,12bS)-7-hydroxy-8b-(2-hydroxyacetyl)-6a,8a,10-trimethyl-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-(ETHYLIDENEBIS(OXY))-11.BETA.,21-DIHYDROXYPREGNA-1,4-DIENE-3,20-DIONE;Budesonide Imp. B (EP);Budesonide Impurity B;PREGNA-1,4-DIENE-3,20-DIONE, 16,17-(ETHYLIDENEBIS(OXY))-11,21-DIHYDROXY-, (11.BETA.,16.ALPHA.)-

Chemical Property of NI0Agy81EG

Chemical Property:

• Boiling Point: 582.4±50.0 °C(Predicted)
• PKA: 12.87±0.10(Predicted)
• Density: 1.32±0.1 g/cm3(Predicted)
• Storage Temp.: -20°C Freezer
• Solubility.: Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly)
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 402.20423867
• Heavy Atom Count: 29
• Complexity: 831

Purity/Quality:

HPLC≥98% ^*data from raw suppliers

Di-Norbudesonide(MixtureofDiastereomers) ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1OC2CC3C4CCC5=CC(=O)C=CC5(C4C(CC3(C2(O1)C(=O)CO)C)O)C
• Isomeric SMILES: CC1O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@@]5([C@H]4[C@H](C[C@@]3([C@@]2(O1)C(=O)CO)C)O)C
• Uses: Di-Norbudesonide (Budesonide EP Impurity B) is an impurity of Budesonide (B689490), an antiinflammatory agent.