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Details

Stereochemistry ABSOLUTE
Molecular Formula C47H58N4O7
Molecular Weight 790.9878
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-(2-(2,6-DIMETHYLPHENOXY)ACETAMIDO)-5-((S)-3-METHYL-2-(2-OXOTETRAHYDROPYRIMIDIN-1(2H)-YL)BUTANAMIDO(-1,6-DIPHENYLHEXAN-3-YL 2-(2,6-DIMETHYLPHENOXY)ACETATE, (2S,3S,5S)-

SMILES

CC(C)[C@@]([H])(C(=N[C@@]([H])(Cc1ccccc1)C[C@@]([H])([C@]([H])(Cc2ccccc2)N=C(COc3c(C)cccc3C)O)OC(=O)COc4c(C)cccc4C)O)N5CCCN=C5O

InChI

InChIKey=GLRUDDIFBLTZDO-PUTFYWIISA-N
InChI=1S/C47H58N4O7/c1-31(2)43(51-25-15-24-48-47(51)55)46(54)49-38(26-36-20-9-7-10-21-36)28-40(58-42(53)30-57-45-34(5)18-14-19-35(45)6)39(27-37-22-11-8-12-23-37)50-41(52)29-56-44-32(3)16-13-17-33(44)4/h7-14,16-23,31,38-40,43H,15,24-30H2,1-6H3,(H,48,55)(H,49,54)(H,50,52)/t38-,39-,40-,43-/m0/s1

HIDE SMILES / InChI

Molecular Formula C47H58N4O7
Molecular Weight 790.9878
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 4 / 4
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Jun 26 12:40:14 UTC 2021
Edited
by admin
on Sat Jun 26 12:40:14 UTC 2021
Record UNII
33726A24AB
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-(2-(2,6-DIMETHYLPHENOXY)ACETAMIDO)-5-((S)-3-METHYL-2-(2-OXOTETRAHYDROPYRIMIDIN-1(2H)-YL)BUTANAMIDO(-1,6-DIPHENYLHEXAN-3-YL 2-(2,6-DIMETHYLPHENOXY)ACETATE, (2S,3S,5S)-
Common Name English
(2S,3S,5S)-2-(2-(2,6-DIMETHYLPHENOXY)ACETAMIDO)-5-((S)-3-METHYL-2-(2-OXOTETRAHYDROPYRIMIDIN-1(2H)-YL)BUTANAMIDO(-1,6-DIPHENYLHEXAN-3-YL 2-(2,6-DIMETHYLPHENOXY)ACETATE
Systematic Name English
LOPINAVIR O-PHENOXYACTYL
Common Name English
LOPINAVIR IMPURITY, LOPINAVIR O-PHENOXYACTYL- [USP]
Common Name English
ACETIC ACID, 2-(2,6-DIMETHYLPHENOXY)-, (1S,3S)-1-((1S)-1-((2-(2,6-DIMETHYLPHENOXY)ACETYL)AMINO)-2-PHENYLETHYL)-3-(((2S)-3-METHYL-1-OXO-2-(TETRAHYDRO-2-OXO-1(2H)-PYRIMIDINYL)BUTYL)AMINO)-4-PHENYLBUTYL ESTER
Systematic Name English
(1S,3S)-1-((1S)-1-((2-(2,6-DIMETHYLPHENOXY)ACETYL)AMINO)-2-PHENYLETHYL)-3-(((2S)-3-METHYL-2-(2-OXOTETRAHYDROPYRIMIDIN-1(2H)-YL)BUTANOYL)AMINO)-4-PHENYLBUTYL 2-(2,6-DIMETHYLPHENOXY)ACETATE
Systematic Name English
LOPINAVIR IMPURITY S [EP]
Common Name English
Code System Code Type Description
FDA UNII
33726A24AB
Created by admin on Sat Jun 26 12:40:14 UTC 2021 , Edited by admin on Sat Jun 26 12:40:14 UTC 2021
PRIMARY
CAS
943250-65-5
Created by admin on Sat Jun 26 12:40:14 UTC 2021 , Edited by admin on Sat Jun 26 12:40:14 UTC 2021
PRIMARY
PUBCHEM
71587879
Created by admin on Sat Jun 26 12:40:14 UTC 2021 , Edited by admin on Sat Jun 26 12:40:14 UTC 2021
PRIMARY
Related Record Type Details
PARENT -> IMPURITY
Procedure 2
CHROMATOGRAPHIC PURITY (HPLC/UV)
USP