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Details

Stereochemistry UNKNOWN
Molecular Formula C37H48N4O6
Molecular Weight 644.8016
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DES(2-OXO-TETRAHYDROPYRIMIDINYL)-2-OXO-4-HYDROXY-TETRAHYDROPYRIMIDINYL LOPINAVIR

SMILES

CC(C)[C@@]([H])(C(=N[C@@]([H])(Cc1ccccc1)C[C@@]([H])([C@]([H])(Cc2ccccc2)N=C(COc3c(C)cccc3C)O)O)O)N4CCC([H])(N=C4O)O

InChI

InChIKey=HECSHMHYHYDFLR-AILSMDFESA-N
InChI=1S/C37H48N4O6/c1-24(2)34(41-19-18-32(43)40-37(41)46)36(45)38-29(20-27-14-7-5-8-15-27)22-31(42)30(21-28-16-9-6-10-17-28)39-33(44)23-47-35-25(3)12-11-13-26(35)4/h5-17,24,29-32,34,42-43H,18-23H2,1-4H3,(H,38,45)(H,39,44)(H,40,46)/t29-,30-,31-,32?,34-/m0/s1

HIDE SMILES / InChI

Molecular Formula C37H48N4O6
Molecular Weight 644.8016
Charge 0
Count
Stereochemistry EPIMERIC
Additional Stereochemistry No
Defined Stereocenters 4 / 5
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Jun 26 12:06:14 UTC 2021
Edited
by admin
on Sat Jun 26 12:06:14 UTC 2021
Record UNII
9BL5BH56JW
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
DES(2-OXO-TETRAHYDROPYRIMIDINYL)-2-OXO-4-HYDROXY-TETRAHYDROPYRIMIDINYL LOPINAVIR
Common Name English
LOPINAVIR (M-3/M-4)
Common Name English
LOPINAVIR IMPURITY C [WHO-IP]
Common Name English
1(2H)-PYRIMIDINEACETAMIDE, N-((1S,3S,4S)-4-((2-(2,6-DIMETHYLPHENOXY)ACETYL)AMINO)-3-HYDROXY-5-PHENYL-1-(PHENYLMETHYL)PENTYL)TETRAHYDRO-4-HYDROXY-.ALPHA.-(1-METHYLETHYL)-2-OXO-, (.ALPHA.S)-
Systematic Name English
LOPINAVIR METABOLITE M-3/M-4
Common Name English
4-HYDROXYLOPINAVIR
Common Name English
(2S)-N-((1S,3S,4S)-1-BENZYL-4-(((2,6-DIMETHYLPHENOXY)ACETYL)AMINO)-3-HYDROXY-5-PHENYLPENTYL)-2-((4RS)-4-HYDROXY-2-OXOTETRAHYDROPYRIMIDIN-1(2H)-YL)-3-METHYLBUTANAMIDE
Common Name English
Code System Code Type Description
FDA UNII
9BL5BH56JW
Created by admin on Sat Jun 26 12:06:14 UTC 2021 , Edited by admin on Sat Jun 26 12:06:14 UTC 2021
PRIMARY
PUBCHEM
486507
Created by admin on Sat Jun 26 12:06:14 UTC 2021 , Edited by admin on Sat Jun 26 12:06:14 UTC 2021
PRIMARY
CAS
357275-54-8
Created by admin on Sat Jun 26 12:06:14 UTC 2021 , Edited by admin on Sat Jun 26 12:06:14 UTC 2021
PRIMARY
EPA CompTox
357275-54-8
Created by admin on Sat Jun 26 12:06:14 UTC 2021 , Edited by admin on Sat Jun 26 12:06:14 UTC 2021
PRIMARY
Related Record Type Details
PARENT -> METABOLITE
Amount not specified.