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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 ISOLOPINAVIR

SMILES

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

InChI

InChIKey=ICYSWUDWZIXOPB-SUGCFTRWSA-N
InChI=1S/C37H48N4O5/c1-25(2)34(41-20-12-19-38-37(41)45)36(44)40-31(22-29-17-9-6-10-18-29)32(42)23-30(21-28-15-7-5-8-16-28)39-33(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,39,43)(H,40,44)/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

Approval Year

Substance Class Chemical
Created
by admin
on Sat Jun 26 11:19:21 UTC 2021
Edited
by admin
on Sat Jun 26 11:19:21 UTC 2021
Record UNII
183NNJ3G5T
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ISOLOPINAVIR
Common Name English
(S)-N-((2S,3S,5S)-5-(2-(2,6-DIMETHYLPHENOXY)ACETAMIDO)-3-HYDROXY-1,6-DIPHENYLHEXAN-2-YL)-3-METHYL-2-(2-OXOTETRAHYDROPYRIMIDIN-1(2H)-YL)BUTANAMIDE
Systematic Name English
LOPINAVIR SPECIFIED IMPURITY I [EP]
Common Name English
LOPINAVIR IMPURITY, ISOLOPINAVIR- [USP]
Common Name English
N-((2S,3S,5S)-5-(2-(2,6-DIMETHYLPHENOXY)ACETAMIDO)-3-HYDROXY-1,6-DIPHENYLHEXAN-2-YL)-3-METHYL-2-(2-OXOTETRAHYDROPYRIMIDIN-1(2H)-YL)BUTANAMIDE, (S)-
Common Name English
(2S)-N-((1S,2S,4S)-1-BENZYL-4-((2-(2,6-DIMETHYLPHENOXY)ACETYL)AMINO)-2-HYDROXY-5-PHENYLPENTYL)-3-METHYL-2-(2-OXOTETRAHYDROPYRIMIDIN-1(2H)-YL)BUTANAMIDE
Systematic Name English
Code System Code Type Description
PUBCHEM
76966912
Created by admin on Sat Jun 26 11:19:21 UTC 2021 , Edited by admin on Sat Jun 26 11:19:21 UTC 2021
PRIMARY
FDA UNII
183NNJ3G5T
Created by admin on Sat Jun 26 11:19:21 UTC 2021 , Edited by admin on Sat Jun 26 11:19:21 UTC 2021
PRIMARY
Related Record Type Details
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP