Chemical identity

Ritonavir EP Impurity O/ Ritonavir 3-Epimer/ Ritonavir BP Impurity O

CAS 1414933-81-5 · C37H48N6O5S2

01Identity

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

Lazychem IDLC-27136
PubChem CID5076
NameRitonavir EP Impurity O/ Ritonavir 3-Epimer/ Ritonavir BP Impurity O
CAS RN1414933-81-5
Molecular formulaC37H48N6O5S2
Molecular weight720.94 g/mol
IUPAC nameThiazol-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
InChIKeyNCDNCNXCDXHOMX-UHFFFAOYSA-N

02Structure identifiers

2D structurePubChem CID 5076
Two-dimensional chemical structure of Ritonavir EP Impurity O/ Ritonavir 3-Epimer/ Ritonavir BP Impurity O, CAS 1414933-81-5
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. These statements are calculated from the published structure string.

Defined stereocentres0
Unassigned stereocentres4
Ring count4
Secondary amines0
Tertiary amines0
N-methyl amine sites0
SMILESCC(C)C1=NC(=CS1)CN(C)C(=O)NC(C(C)C)C(=O)NC(CC2=CC=CC=C2)CC(C(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 0 defined and 4 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres0Structure assigned
Unassigned centres4Structure unspecified
Assignment statusUnassignedExact 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 1414933-81-5 has no exact match in the reviewed published schedule.
SCOMETNO EXACT REVIEWED CAS MATCHCAS 1414933-81-5 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 O
  • Ritonavir 3-Epimer

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