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Lopinavir EP Impurity E

CAT: 1596-AR-L07684-06Size: 250 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-L07684-06Size:250 Units
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
192725-49-8
Synonyms
N- ((2S,3S,5S) -5-amino-3-hydroxy-1,6-diphenylhexan-2-yl) -2- (2,6-dimethylphenoxy) acetamide; Lopinavir Phenoxyacetamide (USP)
Molecular Formula
C28H34N2O3
Molecular Weight
446.59
API Name
Lopinavir

Chemical Information

N-((2S,3S,5S)-5-Amino-3-hydroxy-1,6-diphenylhexan-2-yl)-2-(2,6-dimethylphenoxy)acetamide
CAS Number192725-49-8
PubChem CID10961286
IUPAC NameN-[(2S,3S,5S)-5-amino-3-hydroxy-1,6-diphenylhexan-2-yl]-2-(2,6-dimethylphenoxy)acetamide
Molecular FormulaC28H34N2O3
Molecular Weight446.6
XLogP4.8
Topological Polar Surface Area84.6
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count11
Heavy Atom Count33
Formal Charge0
Complexity549
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)N)O
InChI
InChI=1S/C28H34N2O3/c1-20-10-9-11-21(2)28(20)33-19-27(32)30-25(17-23-14-7-4-8-15-23)26(31)18-24(29)16-22-12-5-3-6-13-22/h3-15,24-26,31H,16-19,29H2,1-2H3,(H,30,32)/t24-,25-,26-/m0/s1
InChIKey
LWXUXIDLCWPHIW-GSDHBNRESA-N
Chemical Structure
2D Structure
2D structure of N-((2S,3S,5S)-5-Amino-3-hydroxy-1,6-diphenylhexan-2-yl)-2-(2,6-dimethylphenoxy)acetamide
CAS: 192725-49-8
CID: 10961286
Formula: C28H34N2O3
MW: 446.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight446.6
XLogP34.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count11
Exact Mass446.25694295
Monoisotopic Mass446.25694295
Topological Polar Surface Area84.6 Ų
Heavy Atom Count33
Formal Charge0
Complexity549
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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