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Ritonavir Impurity I

Ritonavir Impurity I is a demethylated analog of the antiretroviral protease inhibitor Ritonavir, characterized by a substituted sulfonamide moiety, a pyrrolidone ring, and a cyclohexene core. The compound retains the dipeptide-like scaffold of Ritonavir but features a truncated side chain due to the absence of a methyl group at the C-terminus. This structural modification arises during synthetic processes, likely via incomplete alkylation or oxidative degradation. The molecule exhibits two chiral centers and contains a thiazole ring fused to a pyridine moiety, contributing to its distinct chromatographic profile. It serves as a reference standard for HPLC-based impurity profiling in Ritonavir formulations.

On Request

Molecular Formula C₃₆H₄₆N₆O₅S₂

Molecular Weight 706.9000

CAS Number 165315-26-4 ✓ Verified

PubChem CID 482956 ↗

Purity N/A

Product Type API Impurity

Parent Drug Ritonavir

Lead Time On Request

IUPAC Name 1,3-thiazol-5-ylmethyl N-[(2S,3S,5S)-5-[[(2S)-2-[[(2-ethyl-1,3-thiazol-4-yl)methyl-methylcarbamoyl]amino]-3-methylbutanoyl]amino]-3-hydroxy-1,6-diphenylhexan-2-yl]carbamate

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📝 Synonyms

2-Desisopropyl-2-ethyl Ritonavir 165315-26-4 UNII-6M6X3D822N 6M6X3D822N 1,3-thiazol-5-ylmethyl N-[(2S,3S,5S)-5-[[(2S)-2-[[(2-ethyl-1,3-thiazol-4-yl)methyl-methylcarbamoyl]amino]-3-methylbutanoyl]amino]-3-hydroxy-1,6-diphenylhexan-2-yl]carbamate DTXSID60167921 2,4,7,12-Tetraazatridecan-13-oic acid, 1-(2-ethyl-4-thiazolyl)-10-hydroxy-2-methyl-5-(1-methylethyl)-3,6-dioxo-8,11-bis(phenylmethyl)-, 5-thiazolylmethyl ester, (5S-(5R*,8R*,10R*,11R*))- RITONAVIR IMPURITY I [EP IMPURITY] 2,4,7,12-TETRAAZATRIDECAN-13-OIC ACID, 1-(2-ETHYL-4-THIAZOLYL)-10-HYDROXY-2-METHYL-5-(1-METHYLETHYL)-3,6-DIOXO-8,11-BIS(PHENYLMETHYL)-, 5-THIAZOLYLMETHYL ESTER, (5S,8S,10S,11S)- THIAZOL-5-YLMETHYL (((1S,2S,4S)-1-BENZYL-4-(((2S)-2-((((2-ETHYLTHIAZOL-4-YL)METHYL)METHYLCARBAMOYL)AMINO)-3-METHYLBUTANOYL)AMINO)-2-HYDROXY-5-PHENYLPENTYL)CARBAMATE

🔬 Chemical Identifiers

SMILES CCC1=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

InChI

InChI=1S/C36H46N6O5S2/c1-5-32-38-28(22-48-32)20-42(4)35(45)41-33(24(2)3)34(44)39-27(16-25-12-8-6-9-13-25)18-31(43)30(17-26-14-10-7-11-15-26)40-36(46)47-21-29-19-37-23-49-29/h6-15,19,22-24,27,30-31,33,43H,5,16-18,20-21H2,1-4H3,(H,39,44)(H,40,46)(H,41,45)/t27-,30-,31-,33-/m0/s1

InChIKey OYEPOHCIXAAUDI-UDRKEFQJSA-N

📝 Synonyms

🔬 Chemical Identifiers

Related Compounds