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Details

Stereochemistry ABSOLUTE
Molecular Formula C37H48N4O5
Molecular Weight 628.8022
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of LOPINAVIR 2,4-PHENOXY ISOMER

SMILES

CC(C)[C@@]([H])(C(=N[C@@]([H])(Cc1ccccc1)C[C@@]([H])([C@]([H])(Cc2ccccc2)N=C(COc3ccc(C)cc3C)O)O)O)N4CCCN=C4O

InChI

InChIKey=GAPPYXJFBIJAKZ-ABVVNCBOSA-N
InChI=1S/C37H48N4O5/c1-25(2)35(41-19-11-18-38-37(41)45)36(44)39-30(21-28-12-7-5-8-13-28)23-32(42)31(22-29-14-9-6-10-15-29)40-34(43)24-46-33-17-16-26(3)20-27(33)4/h5-10,12-17,20,25,30-32,35,42H,11,18-19,21-24H2,1-4H3,(H,38,45)(H,39,44)(H,40,43)/t30-,31-,32-,35-/m0/s1

HIDE SMILES / InChI

Molecular Formula C37H48N4O5
Molecular Weight 628.8022
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 12:59:46 UTC 2021
Edited
by admin
on Sat Jun 26 12:59:46 UTC 2021
Record UNII
75Y1BB3QPF
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
LOPINAVIR 2,4-PHENOXY ISOMER
Common Name English
LOPINAVIR IMPURITY, LOPINAVIR 2,4-PHENOXY ISOMER- [USP]
Common Name English
(S)-N-((2S,4S,5S)-5-(2-(2,4-DIMETHYLPHENOXY)ACETAMIDO)-4-HYDROXY-1,6-DIPHENYLHEXAN-2-YL)-3-METHYL-2-(2-OXOTETRAHYDROPYRIMIDIN-1(2H)-YL)BUTANAMIDE
Systematic Name English
(2S)-N-((1S,3S,4S)-1-BENZYL-4-((2-(2,4-DIMETHYLPHENOXY)ACETYL)AMINO)-3-HYDROXY-5-PHENYLPENTYL)-3-METHYL-2-(2-OXOTETRAHYDROPYRIMIDIN-1(2H)-YL)BUTANAMIDE
Systematic Name English
LOPINAVIR IMPURITY J [EP]
Common Name English
Code System Code Type Description
FDA UNII
75Y1BB3QPF
Created by admin on Sat Jun 26 12:59:46 UTC 2021 , Edited by admin on Sat Jun 26 12:59:46 UTC 2021
PRIMARY
PUBCHEM
76960930
Created by admin on Sat Jun 26 12:59:46 UTC 2021 , Edited by admin on Sat Jun 26 12:59:46 UTC 2021
PRIMARY
Related Record Type Details
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
USP