Lopinavir Impurity S

Base Information

• Chemical Name: Lopinavir Impurity S
• CAS No.: 943250-65-5
• Molecular Formula: C47H58N4O7
• Molecular Weight: 791.0
• Mol file: 943250-65-5.mol

Synonyms:Lopinavir Impurity S;943250-65-5;[(2R,3S,5R)-2-[[2-(2,6-dimethylphenoxy)acetyl]amino]-5-[[(2S)-3-methyl-2-(2-oxo-1,3-diazinan-1-yl)butanoyl]amino]-1,6-diphenylhexan-3-yl] 2-(2,6-dimethylphenoxy)acetate;(2,6-Xylyloxy)acetyl Lopinavir;Lopinavir O-Phenoxyacetyl

Chemical Property of Lopinavir Impurity S

Chemical Property:

• XLogP3: 8.9
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 20
• Exact Mass: 790.43055020
• Heavy Atom Count: 58
• Complexity: 1270

Purity/Quality:

> 95% ^*data from raw suppliers

(2,6-Xylyloxy)acetylLopinavir ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=C(C(=CC=C1)C)OCC(=O)NC(CC2=CC=CC=C2)C(CC(CC3=CC=CC=C3)NC(=O)C(C(C)C)N4CCCNC4=O)OC(=O)COC5=C(C=CC=C5C)C
• Isomeric SMILES: CC1=C(C(=CC=C1)C)OCC(=O)N[C@H](CC2=CC=CC=C2)[C@H](C[C@@H](CC3=CC=CC=C3)NC(=O)[C@H](C(C)C)N4CCCNC4=O)OC(=O)COC5=C(C=CC=C5C)C
• Uses: (2,6-Xylyloxy)acetyl Lopinavir is an impurity of Lopinavir (L469480), A selective HIV protease inhibitor. (2,6-Xylyloxy)acetyl Lopinavir (Lopinavir EP Impurity S) is an impurity of Lopinavir (L469480), A selective HIV protease inhibitor. It is a COVID19-related research product.

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