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Details

Stereochemistry ABSOLUTE
Molecular Formula C37H46N4O6
Molecular Weight 642.7843
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-OXO-LOPINAVIR

SMILES

CC(C)[C@H](N1CCC(=O)NC1=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=PSUMJBRVYHIASB-MEROQGEASA-N
InChI=1S/C37H46N4O6/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/h5-17,24,29-31,34,42H,18-23H2,1-4H3,(H,38,45)(H,39,44)(H,40,43,46)/t29-,30-,31-,34-/m0/s1

HIDE SMILES / InChI

Molecular Formula C37H46N4O6
Molecular Weight 642.7843
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 Dec 16 09:49:12 UTC 2023
Edited
by admin
on Sat Dec 16 09:49:12 UTC 2023
Record UNII
FA4KE7HY7K
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4-OXO-LOPINAVIR
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-.ALPHA.-(1-METHYLETHYL)-2,4-DIOXO-, (.ALPHA.S)-
Systematic Name English
LOPINAVIR METABOLITE M-1
Common Name English
LOPINAVIR IMPURITY E [WHO-IP]
Common Name English
4-OXOLOPINAVIR
Common Name English
LOPINAVIR (M1)
Common Name English
DES(2-OXO-TETRAHYDROPYRIMIDINYL)-2,4-DIOXO-TETRAHYDROPYRIMIDINYLLOPINAVIR
Common Name English
Code System Code Type Description
EPA CompTox
DTXSID70940949
Created by admin on Sat Dec 16 09:49:12 UTC 2023 , Edited by admin on Sat Dec 16 09:49:12 UTC 2023
PRIMARY
FDA UNII
FA4KE7HY7K
Created by admin on Sat Dec 16 09:49:12 UTC 2023 , Edited by admin on Sat Dec 16 09:49:12 UTC 2023
PRIMARY
CAS
192725-39-6
Created by admin on Sat Dec 16 09:49:12 UTC 2023 , Edited by admin on Sat Dec 16 09:49:12 UTC 2023
PRIMARY
PUBCHEM
486506
Created by admin on Sat Dec 16 09:49:12 UTC 2023 , Edited by admin on Sat Dec 16 09:49:12 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE
Amount not specified.
Related Record Type Details
PARENT -> IMPURITY