Name: N-Nitroso-N-desmethyldoxycycline
Brand: TRC
SKU: TRC-N292420

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Product Overview

Product Code

TRC-N292420

Product Format

Neat

Molecular Formula

C21 H21 N3 O9

Molecular Weight

459.406

Product Categories

TRC, Nitrosamine Reference Materials, Impurity Reference Materials , Nitrosamine Research and Reference Materials

Product Type

Contaminant

Documentation

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Product Information

Analyte Name

N-Nitroso-N-desmethyldoxycycline

Molecular Formula

C21 H21 N3 O9

Molecular Weight

459.406

Accurate Mass

459.128

SMILES

OC1=C2C([C@H](C)[C@]3([H])C(C2=O)=C(O)[C@@]4(O)[C@@]([C@H](N(N=O)C)C(O)=C(C(N)=O)C4=O)([H])[C@H]3O)=CC=C1

InChI

InChI=1S/C21H21N3O9/c1-6-7-4-3-5-8(25)10(7)15(26)11-9(6)16(27)13-14(24(2)23-33)17(28)12(20(22)31)19(30)21(13,32)18(11)29/h3-6,9,13-14,16,25,27-29,32H,1-2H3,(H2,22,31)/t6-,9+,13+,14-,16-,21-/m0/s1

IUPAC

(4S,4aR,5S,5aR,6R,12aS)-3,5,10,12,12a-pentahydroxy-6-methyl-4-[methyl(nitroso)amino]-1,11-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Contaminant

Product Format

Neat

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