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Substance Name: Ritonavir (3R)-hydroxy epimer
RN: 1414933-81-5
UNII: 4OP127JDQD
InChIKey: NCDNCNXCDXHOMX-RACJEYCXSA-N

Molecular Formula

  • C37-H48-N6-O5-S2

Molecular Weight

  • 720.9552
 
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Names and Synonyms

Name of Substance

  • Ritonavir (3R)-hydroxy epimer

Synonyms

  • 2,7,10,12-Tetraazatridecanoic acid, 4-hydroxy-12-methyl-9-(1-methylethyl)-13-(2-(1-methylethyl)-4-thiazolyl)-8,11-dioxo-3,6-bis(phenylmethyl)-, 5-thiazolylmethyl ester, (3S,4R,6S,9S)-
  • Ritonavir (3R)-hydroxy epimer
  • Ritonavir 3-epimer
  • Ritonavir impurity, 3-epimer- [USP]
  • Ritonavir specified impurity O [EP]
  • Thiazol-5-ylmethyl ((1S,2R,4S)-1-benzyl-2-hydroxy-4-(((2S)-3-methyl-2-((methyl((2-(1-methylethyl)thiazol-4-yl)methyl)carbamoyl)amino)butanoyl)amino)-5-phenylpentyl)carbamate
  • Thiazol-5-ylmethyl (2S,3R,5S)-3-hydroxy-5-((S)-2-(3-((2-isopropylthiazol-4-yl)methyl)-3-methylureido(-3-methylbutanamido)-1,6-diphenylhexan-2-ylcarbamate
  • UNII-4OP127JDQD

Registry Numbers

CAS Registry Number

  • 1414933-81-5

FDA UNII

  • 4OP127JDQD

System Generated Number

  • 1414933815

Structure Descriptors

InChI

1S/C37H48N6O5S2/c1-24(2)33(42-36(46)43(5)20-29-22-49-35(40-29)25(3)4)34(45)39-28(16-26-12-8-6-9-13-26)18-32(44)31(17-27-14-10-7-11-15-27)41-37(47)48-21-30-19-38-23-50-30/h6-15,19,22-25,28,31-33,44H,16-18,20-21H2,1-5H3,(H,39,45)(H,41,47)(H,42,46)/t28-,31-,32+,33-/m0/s1

InChIKey

NCDNCNXCDXHOMX-RACJEYCXSA-N

Smiles

CC(C)c1nc(cs1)CN(C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc2ccccc2)C[C@H]([C@H](Cc3ccccc3)NC(=O)OCc4cncs4)O