Desthiazolylmethyloxycarbonyl Ritonavir-d6
Product Code
TRC-D297432
CAS Number
Product Format
Neat
Molecular Formula
C32 D6 H39 N5 O3 S
Molecular Weight
585.83
Product Categories
TRC, Enzyme inhibitors, Anti-HIV agents, Antivirals and antiretrovirals, Stable isotopes, Pharmaceutical Toxicology Reference Materials
Alternate CAS Number
Unlabelled CAS Number
Documentation
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Product Information
Chemical Data
Analyte Name
Desthiazolylmethyloxycarbonyl Ritonavir thiazolyl-isopropyl-1,1,1,3,3,3-d6
CAS Number
1217772-02-5
Molecular Formula
C32 D6 H39 N5 O3 S
Molecular Weight
585.83
Accurate Mass
585.362
SMILES
[2H]C([2H])([2H])C(c1nc(CN(C)C(=O)N[C@@H](C(C)C)C(=O)N[C@H](C[C@H](O)[C@@H](N)Cc2ccccc2)Cc3ccccc3)cs1)C([2H])([2H])[2H]
InChI
InChI=1S/C32H45N5O3S/c1-21(2)29(36-32(40)37(5)19-26-20-41-31(35-26)22(3)4)30(39)34-25(16-23-12-8-6-9-13-23)18-28(38)27(33)17-24-14-10-7-11-15-24/h6-15,20-22,25,27-29,38H,16-19,33H2,1-5H3,(H,34,39)(H,36,40)/t25-,27-,28-,29-/m0/s1/i3D3,4D3
IUPAC
(2S)-N-[(1S,3S,4S)-4-amino-1-benzyl-3-hydroxy-5-phenyl-pentyl]-3-methyl-2-[[methyl-[[2-[2,2,2-trideuterio-1-(trideuteriomethyl)ethyl]thiazol-4-yl]methyl]carbamoyl]amino]butanamide
Alternate CAS Number
Relative stereochemistry: 1217772-02-5
Unlabelled CAS Number
176655-55-3
SIL Type
Deuterium
Product Data
Storage Temperature
-20°C
Shipping Temperature
Room Temperature
Country of Origin
CANADA
Product Type
Metabolite; Stable Isotope Labelled
Product Format
Neat
Product Description
A labelled metabolite of the selective HIV protease inhibitor Ritonavir (R535000). It is a COVID19-related research product.
References: Jaworski, T., et al.: Xenobiotica, 21, 1451
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