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Product Overview

Product Code

TRC-N546615

Product Format

Neat

Molecular Formula

C9H14N4O7 . HCl

Molecular Weight

326.69

Product Categories

TRC, Nitrosamine Reference Materials, Nitrosamine Research and Reference Materials

Product Type

Contaminant

Alternate CAS Number

Free base: 75599-13-2

Documentation

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Product Information

Chemical Data

Analyte Name

5-Nitroso-6-ribitylamino-2,4(1H,3H)-pyrimidinedione Hydrochloride

Molecular Formula

C9H14N4O7 . HCl

Molecular Weight

326.69

Accurate Mass

326.07

SMILES

O=C(C(N=O)=C(NC[C@@H]([C@H](O)[C@@H](CO)O)O)N1)NC1=O.Cl

InChI

InChI=1S/C9H14N4O7.ClH/c14-2-4(16)6(17)3(15)1-10-7-5(13-20)8(18)12-9(19)11-7;/h3-4,6,14-17H,1-2H2,(H3,10,11,12,18,19);1H/t3-,4+,6-;/m0./s1

IUPAC

5-nitroso-6-(((2S,3S,4R)-2,3,4,5-tetrahydroxypentyl)amino)pyrimidine-2,4(1H,3H)-dione hydrochloride

Alternate CAS Number

Free base: 75599-13-2

Product Data

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

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