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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, (4R) EPIMER-

SMILES

CC(C)[C@@]([H])(C(=N[C@@]([H])(Cc1ccccc1)C[C@]([H])([C@]([H])(Cc2ccccc2)N=C(COc3c(C)cccc3C)O)O)O)N4CCCN=C4O

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 628.8022
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
109281
Targets

Targets

Primary TargetPharmacologyConditionPotency
Inhibitor
7728
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 Sat Jun 26 09:40:48 UTC 2021
Edited
by admin
on Sat Jun 26 09:40:48 UTC 2021
Record UNII
3M1YX6KMFC
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
LOPINAVIR, (4R) EPIMER-
Common Name English
LOPINAVIR IMPURITY, LOPINAVIR (4R) EPIMER-
USP  
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, LOPINAVIR (4R) EPIMER- [USP]
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
LOPINAVIR IMPURITY N [EP]
Common 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 Sat Jun 26 09:40:48 UTC 2021 , Edited by admin on Sat Jun 26 09:40:48 UTC 2021
PRIMARY
FDA UNII
3M1YX6KMFC
Created by admin on Sat Jun 26 09:40:48 UTC 2021 , Edited by admin on Sat Jun 26 09:40:48 UTC 2021
PRIMARY
Related Record Type Details
Structure of LOPINAVIR
PARENT -> IMPURITY
UNSPECIFIED
EP
NIH
NCATS
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