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Substance Name: Lopinavir monohydrate
RN: 1239071-09-0
UNII: JK38KEB9D9
InChIKey: XLJJEFLRMQZJDB-YIUCRBITSA-N

Molecular Formula

  • C37-H48-N4-O5.H2-O

Molecular Weight

  • 646.8161
 
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Names and Synonyms

Name of Substance

  • Lopinavir monohydrate

Synonyms

  • 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-oxo-, hydrate (1:1), (alphaS)-
  • Lopinavir hydrate
  • Lopinavir monohydrate
  • UNII-JK38KEB9D9

Registry Numbers

CAS Registry Number

  • 1239071-09-0

FDA UNII

  • JK38KEB9D9

System Generated Number

  • 1239071090

Structure Descriptors

InChI

1S/C37H48N4O5.H2O/c1-25(2)34(41-20-12-19-38-37(41)45)36(44)39-30(21-28-15-7-5-8-16-28)23-32(42)31(22-29-17-9-6-10-18-29)40-33(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,39,44)(H,40,43);1H2/t30-,31-,32-,34-;/m0./s1

InChIKey

XLJJEFLRMQZJDB-YIUCRBITSA-N

Smiles

O.CC(C)[C@H](N1CCCNC1=O)C(=O)N[C@H](C[C@H](O)[C@H](Cc2ccccc2)NC(=O)COc3c(C)cccc3C)Cc4ccccc4