U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C28H38N4O4
Molecular Weight 494.6268
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of N-((1S,3S,4S)-1-BENZYL-4-(FORMYLAMINO)-3-HYDROXY-5-PHENYLPENTYL)-3-METHYL-2-(2-OXOTETRAHYDROPYRIMIDIN-1(2H)-YL)BUTANAMIDE, (2S)-

SMILES

CC(C)[C@@]([H])(C(=N[C@@]([H])(Cc1ccccc1)C[C@@]([H])([C@]([H])(Cc2ccccc2)N=CO)O)O)N3CCCN=C3O

InChI

InChIKey=AMDLXDVOXFFVOH-CQJMVLFOSA-N
InChI=1S/C28H38N4O4/c1-20(2)26(32-15-9-14-29-28(32)36)27(35)31-23(16-21-10-5-3-6-11-21)18-25(34)24(30-19-33)17-22-12-7-4-8-13-22/h3-8,10-13,19-20,23-26,34H,9,14-18H2,1-2H3,(H,29,36)(H,30,33)(H,31,35)/t23-,24-,25-,26-/m0/s1

HIDE SMILES / InChI

Molecular Formula C28H38N4O4
Molecular Weight 494.6268
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 16:21:50 UTC 2021
Edited
by admin
on Sat Jun 26 16:21:50 UTC 2021
Record UNII
022R05FL66
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
N-((1S,3S,4S)-1-BENZYL-4-(FORMYLAMINO)-3-HYDROXY-5-PHENYLPENTYL)-3-METHYL-2-(2-OXOTETRAHYDROPYRIMIDIN-1(2H)-YL)BUTANAMIDE, (2S)-
Systematic Name English
LOPINAVIR SPECIFIED IMPURITY B [EP]
Common Name English
LOPINAVIR IMPURITY, LOPINAVIR N-FORMYLAMINOALCOHOL- [USP]
Common Name English
(2S)-N-((1S,3S,4S)-1-BENZYL-4-(FORMYLAMINO)-3-HYDROXY-5-PHENYLPENTYL)-3-METHYL-2-(2-OXOTETRAHYDROPYRIMIDIN-1(2H)-YL)BUTANAMIDE
Systematic Name English
(S)-N-((2S,4S,5S)-5-FORMAMIDO-4-HYDROXY-1,6-DIPHENYLHEXAN-2-YL)-3-METHYL-2-(2-OXOTETRAHYDROPYRIMIDIN-1(2H)-YL)BUTANAMIDE
Systematic Name English
LOPINAVIR N-FORMYLAMINOALCOHOL
Common Name English
Code System Code Type Description
PUBCHEM
76966392
Created by admin on Sat Jun 26 16:21:50 UTC 2021 , Edited by admin on Sat Jun 26 16:21:50 UTC 2021
PRIMARY
FDA UNII
022R05FL66
Created by admin on Sat Jun 26 16:21:50 UTC 2021 , Edited by admin on Sat Jun 26 16:21:50 UTC 2021
PRIMARY
Related Record Type Details
PARENT -> IMPURITY
For the calculation of contents, multiply the peak areas by 1.3
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP