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Product Overview

Product Code

TRC-A618515

CAS Number

1798888-56-8

Product Format

Neat

Molecular Formula

C18H20N3NaO6S2

Molecular Weight

461.49

Product Categories

Carcinogens, TRC

Documentation

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Product Information

Analyte Name

Amino Nimesulide NAC Adduct Sodium Salt

CAS Number

1798888-56-8

Molecular Formula

C18H20N3NaO6S2

Molecular Weight

461.49

SMILES

[Na+].CC(=O)N[C@@H](CSc1cc(NS(=O)(=O)C)c(Oc2ccccc2)cc1N)C(=O)[O-]

InChI

InChI=1S/C18H21N3O6S2.Na/c1-11(22)20-15(18(23)24)10-28-17-9-14(21-29(2,25)26)16(8-13(17)19)27-12-6-4-3-5-7-12;/h3-9,15,21H,10,19H2,1-2H3,(H,20,22)(H,23,24);/q;+1/p-1/t15-;/m0./s1

IUPAC

sodium;(2R)-2-acetamido-3-[2-amino-5-(methanesulfonamido)-4-phenoxyphenyl]sulfanylpropanoate

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

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