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5-Hydroxy-2-[1-methyl-1-[[benzylcarbamoyl]amino]ethyl]-6-methoxypyrimidine-4-carboxylic Acid (Methyl Ester-[d3])

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Metabolic Research

Stable isotope labeling allows researchers to study metabolic pathways in vivo in a safe manner.

Environmental

Stable isotope-labeled compounds are used as environmental pollutant standards for the detection of air, water, soil, sediment and food.

5-Hydroxy-2-[1-methyl-1-[[benzylcarbamoyl]amino]ethyl]-6-methoxypyrimidine-4-carboxylic Acid (Methyl Ester-[d3])

Name: 5-Hydroxy-2-[1-methyl-1-[[benzylcarbamoyl]amino]ethyl]-6-methoxypyrimidine-4-carboxylic Acid (Methyl Ester-[d3])
Brand: BOC Sciences
Rating: 5 (1 reviews)

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General Information
Catalog: BLP-007709
CAS: 1185032-53-4
Molecular Formula: C18H18D3N3O6
Molecular Weight: 378.39

Chemical Structure

Description	An isotopic labelled impurity of the commercial synthesis of Raltegravir which is a potent integrase (IN) inhibitor used as an antiretroviral medication for the treatment of HIV infections.
IUPAC Name	methyl 5-hydroxy-2-[2-(phenylmethoxycarbonylamino)propan-2-yl]-6-(trideuteriomethoxy)pyrimidine-4-carboxylate
Related CAS	1159977-42-0 (unlabelled)
Isomeric SMILES	[2H]C([2H])([2H])OC1=NC(=NC(=C1O)C(=O)OC)C(C)(C)NC(=O)OCC2=CC=CC=C2
Canonical SMILES	CC(C)(C1=NC(=C(C(=N1)OC)O)C(=O)OC)NC(=O)OCC2=CC=CC=C2
InChI	InChI=1S/C18H21N3O6/c1-18(2,21-17(24)27-10-11-8-6-5-7-9-11)16-19-12(15(23)26-4)13(22)14(20-16)25-3/h5-9,22H,10H2,1-4H3,(H,21,24)/i3D3
InChI Key	FCCMQMXYACFBJQ-HPRDVNIFSA-N
Melting Point	110-113°C
Purity	>98%
Solubility	Soluble in DMSO, Methanol
Appearance	White to Off-white Solid
Storage	Store at -20°C