Product Code

TRC-C441682

Product Format

Neat

Molecular Formula

C10 D3 H13 N6 O S

Molecular Weight

271.357

Product Categories

TRC, Stable isotopes, Pharmaceutical Toxicology Reference Materials , Building Blocks

Product Type

Stable Isotope Labelled, Bioactive Small Molecule

Unlabelled CAS Number

54237-72-8

Price and availability

48-hour USA dispatch time

Freight restricted.

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Product Information

Chemical Data

Analyte Name

Cimetidine Sulfoxide-d3

Molecular Formula

C10 D3 H13 N6 O S

Molecular Weight

271.357

Accurate Mass

271.129

SMILES

[2H]C([2H])([2H])N\C(=N/C#N)\NCCS(=O)Cc1nc[nH]c1C

InChI

InChI=1S/C10H16N6OS/c1-8-9(16-7-15-8)5-18(17)4-3-13-10(12-2)14-6-11/h7H,3-5H2,1-2H3,(H,15,16)(H2,12,13,14)/i2D3

IUPAC

2-cyano-1-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfinyl]ethyl]-3-(trideuteriomethyl)guanidine

Unlabelled CAS Number

54237-72-8

SIL Type

Deuterium

Product Data

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

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