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3,7-Dimethylxanthine-(dimethyl-d₆) - 98 atom% D, 98% (CP), high purity , CAS No.117490-40-1
Basic Description
Synonyms | Theobromine-d6|117490-40-1|3,7-bis(trideuteriomethyl)purine-2,6-dione|3,7-Dimethylxanthine-d6|3,7-Dimethylxanthine-(dimethyl-d6)|SCHEMBL1495257|3,7-Dihydro-3,7-di(methyl-d3)-1H-purine-2,6-dione|HY-N0138S|DTXSID40703028|CHEBI:182023|AKOS030254445|3,7-Dimet |
Specifications & Purity | 98 atom% D, 98% (CP) |
Storage Temp | Store at -20°C |
Shipped In | Ice chest + Ice pads |
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Names and Identifiers
IUPAC Name | 3,7-bis(trideuteriomethyl)purine-2,6-dione |
INCHI | InChI=1S/C7H8N4O2/c1-10-3-8-5-4(10)6(12)9-7(13)11(5)2/h3H,1-2H3,(H,9,12,13)/i1D3,2D3 |
InChi Key | YAPQBXQYLJRXSA-WFGJKAKNSA-N |
Canonical SMILES | CN1C=NC2=C1C(=O)NC(=O)N2C |
Isomeric SMILES | [2H]C([2H])([2H])N1C=NC2=C1C(=O)NC(=O)N2C([2H])([2H])[2H] |
PubChem CID | 53442231 |
Molecular Weight | 186.2 |
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Chemical and Physical Properties
Safety and Hazards(GHS)
Pictogram(s) | GHS07 |
Signal | Warning |
Hazard Statements | H302:Harmful if swallowed |
Precautionary Statements | P501:Dispose of contents/container to ... P264:Wash hands [and …] thoroughly after handling. P270:Do not eat, drink or smoke when using this product. P330:Rinse mouth. P301+P317:IF SWALLOWED: Get medical help. |
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