U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS
This repository is under review for potential modification in compliance with Administration directives.

Details

Stereochemistry ABSOLUTE
Molecular Formula C37H48N4O5
Molecular Weight 628.8008
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of LOPINAVIR, (4R) EPIMER-

SMILES

CC(C)[C@H](N1CCCNC1=O)C(=O)N[C@H](C[C@@H](O)[C@H](CC2=CC=CC=C2)NC(=O)COC3=C(C)C=CC=C3C)CC4=CC=CC=C4

InChI

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

HIDE SMILES / InChI
Molecular Formula C37H48N4O5
Molecular Weight 628.8008
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 4 / 4
E/Z Centers 0
Optical Activity UNSPECIFIED

Description

Lopinavir, (2R) Epimer, a selective HIV protease inhibitor, possesses similar properties with lopinavir.

Approval Year

Unknown
149124
Targets

Targets

Primary TargetPharmacologyConditionPotency
Inhibitor
8504
Conditions

Conditions

ConditionModalityTargetsHighest PhaseProduct

Sample Use Guides

In Vivo Use Guide
Unknown
Route of Administration: Unknown
In Vitro Use Guide
Unknown
Substance Class Chemical
Created
by admin
on Mon Mar 31 18:27:09 GMT 2025
Edited
by admin
on Mon Mar 31 18:27:09 GMT 2025
Record UNII
3M1YX6KMFC
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
LOPINAVIR IMPURITY, LOPINAVIR (4R) EPIMER-
USP  
Preferred Name English
LOPINAVIR, (4R) EPIMER-
Common Name English
LOPINAVIR IMPURITY, LOPINAVIR (4R) EPIMER- [USP IMPURITY]
Common Name English
LOPINAVIR, (S-(2S,4R,5S))-
Common Name English
(S)-N-((2S,4R,5S)-5-(2-(2,6-DIMETHYLPHENOXY)ACETAMIDO)-4-HYDROXY-1,6-DIPHENYLHEXAN-2-YL)-3-METHYL-2-(2-OXOTETRAHYDROPYRIMIDIN-1(2H)-YL)BUTANAMIDE
Systematic Name English
LOPINAVIR IMPURITY N [EP IMPURITY]
Common Name English
LOPINAVIR (4R) EPIMER
Common Name English
(2S)-N-((1S,3R,4S)-1-BENZYL-4-((2-(2,6-DIMETHYLPHENOXY)ACETYL)AMINO)-3-HYDROXY-5-PHENYLPENTYL)-3-METHYL-2-(2-OXOTETRAHYDROPYRIMIDIN-1(2H)-YL)BUTANAMIDE
Systematic Name English
N-((2S,4R,5S)-5-(2-(2,6-DIMETHYLPHENOXY)ACETAMIDO)-4-HYDROXY-1,6-DIPHENYLHEXAN-2-YL)-3-METHYL-2-(2-OXOTETRAHYDROPYRIMIDIN-1(2H)-YL)BUTANAMIDE, (S)-
Common Name English
Code System Code Type Description
PUBCHEM
60039264
Created by admin on Mon Mar 31 18:27:09 GMT 2025 , Edited by admin on Mon Mar 31 18:27:09 GMT 2025
PRIMARY
FDA UNII
3M1YX6KMFC
Created by admin on Mon Mar 31 18:27:09 GMT 2025 , Edited by admin on Mon Mar 31 18:27:09 GMT 2025
PRIMARY
Related Record Type Details
Structure of LOPINAVIR
PARENT -> IMPURITY
NIH
NCATS
PRIVACY ACT
ACCESSIBILITY
DISCLAIMER
HHS VULNERABILITY DISCLOSURE
For language access assistance, contact the NCATS Public Information Officer
National Center for Advancing Translational Sciences (NCATS),
6701 Democracy Boulevard, Bethesda MD 20892-4874 • 301-594-8966