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Product Overview

Product Code

TRC-H953390

CAS Number

176655-56-4

EP Description

Ritonavir EP Impurity E

Product Format

Neat

Molecular Formula

C37 H48 N6 O6 S2

Molecular Weight

736.94

API Family

Ritonavir

Product Categories

TRC, Impurity Reference Materials , Chiral Molecules , Anti-HIV agents, Antivirals and antiretrovirals, Pharmaceutical Toxicology Reference Materials

Product Type

Impurity, Metabolite

Documentation

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Product Information

Chemical Data

Analyte Name

hydroxy Ritonavir

CAS Number

176655-56-4

Molecular Formula

C37 H48 N6 O6 S2

Molecular Weight

736.94

Accurate Mass

736.3077

SMILES

CC(C)[C@H](NC(=O)N(C)Cc1csc(n1)C(C)(C)O)C(=O)N[C@H](C[C@H](O)[C@H](Cc2ccccc2)NC(=O)OCc3cncs3)Cc4ccccc4

InChI

InChI=1S/C37H48N6O6S2/c1-24(2)32(42-35(46)43(5)20-28-22-50-34(40-28)37(3,4)48)33(45)39-27(16-25-12-8-6-9-13-25)18-31(44)30(17-26-14-10-7-11-15-26)41-36(47)49-21-29-19-38-23-51-29/h6-15,19,22-24,27,30-32,44,48H,16-18,20-21H2,1-5H3,(H,39,45)(H,41,47)(H,42,46)/t27-,30-,31-,32-/m0/s1

IUPAC

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

Product Data

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Metabolite; Impurity

Product Format

Neat

API Family

Ritonavir

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