Chemical identity

Ritonavir EP Impurity R / Ritonavir BP Impurity R / 5-Epimer Ritonavir

CAS 1414933-80-4 · C37H48N6O5S2

01Identity

Identifiers and names for this exact compound. Empty fields are left unassigned.

Lazychem IDLC-27139
PubChem CID53487909
NameRitonavir EP Impurity R / Ritonavir BP Impurity R / 5-Epimer Ritonavir
CAS RN1414933-80-4
Molecular formulaC37H48N6O5S2
Molecular weight720.94 g/mol
IUPAC nameThiazol-5-yl-methyl [(1S,2S,4R)-1-benzyl-2-hydroxy-4-[[(2S)-3-methyl-2-[[methyl[[2-(1-methylethyl)thiazol-4-yl]methyl]carbamoyl]amino]butanoyl] amino]-5-phenylpentyl]carbamate
InChIKeyNCDNCNXCDXHOMX-UAMZLAIYSA-N

02Structure identifiers

2D structurePubChem CID 53487909
Two-dimensional chemical structure of Ritonavir EP Impurity R / Ritonavir BP Impurity R / 5-Epimer Ritonavir, CAS 1414933-80-4
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 4 rings, includes aromatic atoms, includes aliphatic carbon, has 4 defined stereocentres. These statements are calculated from the published structure string.

Defined stereocentres4
Unassigned stereocentres0
Ring count4
Secondary amines0
Tertiary amines0
N-methyl amine sites0
SMILESCC(C)C1=NC(=CS1)CN(C)C(=O)N[C@@H](C(C)C)C(=O)N[C@H](CC2=CC=CC=C2)C[C@@H]([C@H](CC3=CC=CC=C3)NC(=O)OCC4=CN=CS4)O
InChINot listed
Formula from structureC37H48N6O5S2
Molecular weight from structure720.94 g/mol

03Stereochemistry

The published structure contains 4 defined and 0 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres4Structure assigned
Unassigned centres0Structure unspecified
Assignment statusFully assignedExact published identity
Tetrahedral upper bound≤ 16Before symmetry reduction

Published same-connectivity configurations

5 records

These records have the same connectivity, molecular formula and protonation layer, but a different complete InChIKey stereochemical layer. Only separately structure-linked records are shown.

Scope: The mathematical 2^n value is only an upper bound. Symmetry and other stereogenic elements can change the number of distinct stereoisomers. A hypothetical configuration is not published as a compound record without a verified structure identity.

04India status for this compound

These results apply only to this exact compound name and CAS number. Confirm the current official instruments before making a regulatory decision.

NDPS / RCSNO EXACT MATCH FOUNDCAS 1414933-80-4 has no exact match in the reviewed published schedule.
SCOMETNO EXACT REVIEWED CAS MATCHCAS 1414933-80-4 has no exact match in the reviewed SCOMET list.
Review date2026-08-01Recheck the current official instruments for the material, concentration, activity and date in question.

05Names and relationships

Associated parent compound

Ritonavir

View API and impurity family

Other names

  • Ritonavir EP Impurity R
  • Thiazol-5-ylmethyl (2S,3S,5R)-3-hydroxy-5-((S)-2-(3-((2-isopropylthiazol-4-yl)methyl)-3-methylureido(-3-methylbutanamido)-1,6-diphenylhexan-2-ylcarbamate
  • Ritonavir 5-epimer
  • 1414933-80-4
  • 4KM8A47XII
  • 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,4S,6R,9S)-
  • Thiazol-5-ylmethyl ((1S,2S,4R)-1-benzyl-2-hydroxy-4-(((2S)-3-methyl-2-((methyl((2-(1-methylethyl)thiazol-4-yl)methyl)carbamoyl)amino)butanoyl)amino)-5-phenylpentyl)carbamate
  • C37H48N6O5S2
  • UNII-4KM8A47XII
  • Ritonavir impurity R [EP]
  • Ritonavir impurity, 5-epimer- [USP]
  • SCHEMBL28639533

Related records from the same parent family

06Documented history

Dated discovery, occurrence, use and issue claims are published only when a suitable primary or government source is available.

No dated history available

No verified discovery, first report, occurrence, use or issue event is currently available for this identity.

07Sources