Dehydro RifaxiMin

Base Information

• Chemical Name: Dehydro RifaxiMin
• CAS No.: 80621-76-7
• Molecular Formula: C43H49N3O11
• Molecular Weight: 783.86266
• UNII: JAA5V227IW
• Mol file: 80621-76-7.mol

Synonyms:Dehydro RifaxiMin;[2S-(2R*,16Z,18E,20R*,21R*,22S*,23S*,24S*,25R*,26S*,27R*,28E)]-25-(Acetyloxy)-5,21,23-trihydroxy-27-Methoxy-2,4,11,16,20,22,24,26-octaMethyl-6H-27-(epoxypentadeca[1,11,13]trienonitrilo)benzofuro[4,5-e]pyrido[1,2-a]benziMidazole-1,6,15(2H;Rifaximin EP Impurity G

Chemical Property of Dehydro RifaxiMin

Chemical Property:

• PSA: 195.55000
• LogP: 4.82190
• Storage Temp.: Amber Vial, -20°C Freezer, Under inert atmosphere
• Solubility.: Chloroform (Slightly), Methanol (Slightly)
• XLogP3: 6.3
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 3
• Exact Mass: 783.33670939
• Heavy Atom Count: 57
• Complexity: 1690

Purity/Quality:

97% ^*data from raw suppliers

DehydroRifaximin ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1C=CC=C(C(=O)N=C2C3=C(C4=C(C2=O)C(=C(C5=C4C(=O)C(O5)(OC=CC(C(C(C(C(C(C1O)C)O)C)OC(=O)C)C)OC)C)C)O)N=C6N3C=CC(=C6)C)C
• Isomeric SMILES: C[C@H]1/C=C/C=C(\C(=O)N=C2C3=C(C4=C(C2=O)C(=C(C5=C4C(=O)[C@](O5)(O/C=C/[C@@H]([C@H]([C@H]([C@@H]([C@@H]([C@@H]([C@H]1O)C)O)C)OC(=O)C)C)OC)C)C)O)N=C6N3C=CC(=C6)C)/C
• Uses: Rifaximin (R509500) impurity. Dehydro Rifaximin (Rifaximin EP Impurity G) is a Rifaximin (R509500) impurity.