((3AR,4R,6R,6aR)-6-(2,4-dioxo-3,4-Dihydropyri… 2346620-53-7

About ((3AR,4R,6R,6aR)-6-(2,4-dioxo-3,4-Dihydropyrimidin-1(2H)-yl)-2,2-dimethyltetrahydrofuro[3,4-d][1,3]dioxol-4-yl)methyl isobutyrate

((3AR,4R,6R,6aR)-6-(2,4-dioxo-3,4-Dihydropyrimidin-1(2H)-yl)-2,2-dimethyltetrahydrofuro[3,4-d][1,3]dioxol-4-yl)methyl isobutyrate is an impurity of Molnupiravir carrying the CAS registry number 2346620-53-7. With the molecular formula C16H22N2O7, it has a molar mass of 354.35 g/mol.

The product is provided as a solid. Reference materials should be stored sealed and away from light and moisture, as specified on the accompanying COA. It carries the GHS signal word “Warning” with 1 hazard statement. Review the Safety Data Sheet before use.

Pharmaceutical QC and development laboratories use this impurity standard of Molnupiravir to develop and validate HPLC methods, to set specification limits and to document impurity profiles in ANDA and DMF submissions. Typical end-use sectors are pharmaceutical manufacturing and academic and industrial research.

Standard pack sizes are 10 mg, 25 mg, 50 mg and 100 mg, and every batch ships with a Certificate of Analysis (COA) and we export worldwide.

Typical applications

Analytical method development
Method validation (AMV)
QC release testing
ANDA / DMF filings

Industries

Related to Molnupiravir

View every impurity, metabolite and intermediate we list for Molnupiravir.

Molnupiravir impurities

Specifications & identifiers

Chemical identifiers
Product name	((3AR,4R,6R,6aR)-6-(2,4-dioxo-3,4-Dihydropyrimidin-1(2H)-yl)-2,2-dimethyltetrahydrofuro[3,4-d][1,3]dioxol-4-yl)methyl isobutyrate
Catalogue No.	VQ-038472
CAS Number	2346620-53-7
IUPAC name	[(3aR,4R,6R,6aR)-4-(2,4-dioxopyrimidin-1-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl 2-methylpropanoate
Molecular formula	C₁₆H₂₂N₂O₇
Molecular weight	354.35 g/mol
Exact mass	354.1427
Grade	Reference Standard
HSN code	38229090
InChIKey	ORYLGPPOEFBRMM-OJAKKHQRSA-N
SMILES	CC(C)C(=O)OC[C@@H]1[C@@H]2[C@H]([C@@H](O1)N3C=CC(=O)NC3=O)OC(O2)(C)C
PubChem CID	148821883

Physical properties
Physical form	Solid
LogP (XLogP3)	0.3
H-bond donors / acceptors	1 / 7
TPSA	103 Å²

Safety & hazard information (GHS)

Harmful / irritant

Signal word: Warning

Hazard statements

H317May cause an allergic skin reaction

Precautionary statements: P261, P272, P280, P302 + P352, P321, P333 + P317, P362 + P364, P501

Classification is indicative (aggregated GHS notifications) and may vary by grade and concentration. Always refer to the SDS supplied with your lot.

Documents

Safety Data Sheet (SDS)16-section GHS · on request Certificate of AnalysisTypical / batch COA · on request Specification sheetTDS / MOA · on request

Frequently asked questions

What is the CAS number of ((3AR,4R,6R,6aR)-6-(2,4-dioxo-3,4-Dihydropyrimidin-1(2H)-yl)-2,2-dimethyltetrahydrofuro[3,4-d][1,3]dioxol-4-yl)methyl isobutyrate?

The CAS Registry Number of ((3AR,4R,6R,6aR)-6-(2,4-dioxo-3,4-Dihydropyrimidin-1(2H)-yl)-2,2-dimethyltetrahydrofuro[3,4-d][1,3]dioxol-4-yl)methyl isobutyrate is 2346620-53-7.

What is the molecular formula and molecular weight of ((3AR,4R,6R,6aR)-6-(2,4-dioxo-3,4-Dihydropyrimidin-1(2H)-yl)-2,2-dimethyltetrahydrofuro[3,4-d][1,3]dioxol-4-yl)methyl isobutyrate?

((3AR,4R,6R,6aR)-6-(2,4-dioxo-3,4-Dihydropyrimidin-1(2H)-yl)-2,2-dimethyltetrahydrofuro[3,4-d][1,3]dioxol-4-yl)methyl isobutyrate has the molecular formula C16H22N2O7 and a molecular weight of 354.35 g/mol. Its IUPAC name is [(3aR,4R,6R,6aR)-4-(2,4-dioxopyrimidin-1-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl 2-methylpropanoate.

What is ((3AR,4R,6R,6aR)-6-(2,4-dioxo-3,4-Dihydropyrimidin-1(2H)-yl)-2,2-dimethyltetrahydrofuro[3,4-d][1,3]dioxol-4-yl)methyl isobutyrate used for?

((3AR,4R,6R,6aR)-6-(2,4-dioxo-3,4-Dihydropyrimidin-1(2H)-yl)-2,2-dimethyltetrahydrofuro[3,4-d][1,3]dioxol-4-yl)methyl isobutyrate is supplied as a characterised reference material related to Molnupiravir. It is used for analytical method development and validation (AMV), impurity profiling, stability studies and quality control, and in ANDA/DMF regulatory filings.

Which grade and pack sizes of ((3AR,4R,6R,6aR)-6-(2,4-dioxo-3,4-Dihydropyrimidin-1(2H)-yl)-2,2-dimethyltetrahydrofuro[3,4-d][1,3]dioxol-4-yl)methyl isobutyrate can I order?

We supply ((3AR,4R,6R,6aR)-6-(2,4-dioxo-3,4-Dihydropyrimidin-1(2H)-yl)-2,2-dimethyltetrahydrofuro[3,4-d][1,3]dioxol-4-yl)methyl isobutyrate in Reference Standard grade, in 10 mg, 25 mg, 50 mg, 100 mg packs. Larger bulk quantities and custom packing are quoted on request.

Do you provide a COA and SDS with ((3AR,4R,6R,6aR)-6-(2,4-dioxo-3,4-Dihydropyrimidin-1(2H)-yl)-2,2-dimethyltetrahydrofuro[3,4-d][1,3]dioxol-4-yl)methyl isobutyrate?

Yes. Every lot of ((3AR,4R,6R,6aR)-6-(2,4-dioxo-3,4-Dihydropyrimidin-1(2H)-yl)-2,2-dimethyltetrahydrofuro[3,4-d][1,3]dioxol-4-yl)methyl isobutyrate is shipped with a batch-specific Certificate of Analysis, and a 16-section GHS Safety Data Sheet is provided with the quotation and the shipment.

Can ((3AR,4R,6R,6aR)-6-(2,4-dioxo-3,4-Dihydropyrimidin-1(2H)-yl)-2,2-dimethyltetrahydrofuro[3,4-d][1,3]dioxol-4-yl)methyl isobutyrate be shipped internationally?

Yes. ((3AR,4R,6R,6aR)-6-(2,4-dioxo-3,4-Dihydropyrimidin-1(2H)-yl)-2,2-dimethyltetrahydrofuro[3,4-d][1,3]dioxol-4-yl)methyl isobutyrate is classified as hazardous, so it is packed in UN-approved packaging and shipped as dangerous goods under IATA/IMDG rules. We export worldwide on EXW, FOB, CIF and DAP terms.