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Substance Name: Lopinavir metabolite M-3/M-4
RN: 357275-54-8
UNII: 9BL5BH56JW
InChIKey: HECSHMHYHYDFLR-AILSMDFESA-N

Molecular Formula

  • C37-H48-N4-O6

Molecular Weight

  • 644.8082
 
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Names and Synonyms

Results Name

  • Lopinavir metabolite M-3/M-4

Name of Substance

  • DES(2-oxo-tetrahydropyrimidinyl)-2-oxo-4-hydroxy-tetrahydropyrimidinyl lopinavir

Synonyms

  • 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-, (alphaS)-
  • DES(2-oxo-tetrahydropyrimidinyl)-2-oxo-4-hydroxy-tetrahydropyrimidinyl lopinavir
  • Lopinavir (m-3/m-4)
  • Lopinavir metabolite M-3/M-4
  • UNII-9BL5BH56JW

Registry Numbers

CAS Registry Number

  • 357275-54-8

FDA UNII

  • 9BL5BH56JW

System Generated Number

  • 0357275548

Structure Descriptors

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

InChIKey

HECSHMHYHYDFLR-AILSMDFESA-N

Smiles

Cc1cccc(c1OCC(=O)N[C@@H](Cc2ccccc2)[C@H](C[C@H](Cc3ccccc3)NC(=O)[C@H](C(C)C)N4CCC(NC4=O)O)O)C